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Chemistry

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Also known as: 171335-80-1, Exatecan [inn], Dx-8951f, Oc71pp0f89, Dx-8951, (1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione
Molecular Formula
C24H22FN3O4
Molecular Weight
435.4  g/mol
InChI Key
ZVYVPGLRVWUPMP-FYSMJZIKSA-N
FDA UNII
OC71PP0F89

Exatecan
Exatecan has been used in trials studying the treatment of Sarcoma, Leukemia, Lymphoma, Lung Cancer, and Liver Cancer, among others.
1 2D Structure

Exatecan

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
2.1.2 InChI
InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
2.1.3 InChI Key
ZVYVPGLRVWUPMP-FYSMJZIKSA-N
2.1.4 Canonical SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
2.1.5 Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
2.2 Other Identifiers
2.2.1 UNII
OC71PP0F89
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (1s,9s)-1-amino-9-ethyl-5-fluoro-2,3-dihydro-9-hydroxy-4-methyl-1h,12h-benzo(de)pyrano(3',4'-6,7)indolizino(1,2-b)quinoline-10,13(9h,15h)dione Methanesulfonate

2. Dx 8951

3. Dx 8951f

4. Dx-8951

5. Dx-8951a

6. Dx-8951f

7. Exatecan Mesilate Hydrate

8. Exatecan Mesylate

9. Exatecan Methanesulfonate Dihydrate

2.3.2 Depositor-Supplied Synonyms

1. 171335-80-1

2. Exatecan [inn]

3. Dx-8951f

4. Oc71pp0f89

5. Dx-8951

6. (1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione

7. Dx 8951

8. Unii-oc71pp0f89

9. Exatecan-mesylate

10. (1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione

11. Exatecan [mi]

12. Exatecan [who-dd]

13. Schembl2512959

14. Chembl1614650

15. Dtxsid60169061

16. Chebi:135709

17. Ex-a2683

18. Zinc3800855

19. Nsc829066

20. Akos005146469

21. At33978

22. Bcp9000674

23. Db12185

24. Nsc-829066

25. 10h,13h-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1s,9s)-

26. 10h,13h-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1s-trans)-

27. Ac-32495

28. Bp-27996

29. Hy-13631

30. Db-064817

31. Dx8951;dx 8951;dx-8951

32. 335e801

33. J-521361

34. Q5419343

35. (10s,23s)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 435.4 g/mol
Molecular Formula C24H22FN3O4
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass435.15943435 g/mol
Monoisotopic Mass435.15943435 g/mol
Topological Polar Surface Area106 Ų
Heavy Atom Count32
Formal Charge0
Complexity950
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Topoisomerase I Inhibitors

Compounds that inhibit the activity of DNA TOPOISOMERASE I. (See all compounds classified as Topoisomerase I Inhibitors.)


API SUPPLIERS

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Cohance Lifesciences

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Chongqing Sintaho Pharmaceutical

China

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Shanghai Minbiotech

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Sichuan Elixir Pharmaceuticals

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WuXi AppTec

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Zhejiang Huida Biotech

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Haoyuan Chemexpress Co.Ltd

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Haoyuan Chemexpress Co.Ltd

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Jin Dun Medical

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Medlab Asia & Asia Health
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Virtual BoothCohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

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Exatecan

About the Company : Cohance Lifesciences is a leading CDMO and API platform, offering products and services across all phases of a molecule’s lifecycle from development to commercialzation. With our...

Cohance Lifesciences is a leading CDMO and API platform, offering products and services across all phases of a molecule’s lifecycle from development to commercialzation. With our expertise in complex chemistries, we provide end-to-end CDMO services to global innovators and have delivered numerous projects from concept to commercialization over the years.As a global API player, we serve customers across nearly 60 countries with 80+ molecules backed by robust R&D, regulatory capabilities and manufacturing infrastructure. We are among the top backward integrated exporters of pellets and have strong development and manufacturing capabilities.
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Virtual BoothChongqing Sintaho Pharma: A trusted partner globally for chemosynthetic APIs.

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Exatecan

About the Company : Sintaho Pharmaceutical Co., Ltd., located in Chongqing, China, contributes to being the most dependable partner for global pharmaceutical companies. Sintaho specializes in chemosyn...

Sintaho Pharmaceutical Co., Ltd., located in Chongqing, China, contributes to being the most dependable partner for global pharmaceutical companies. Sintaho specializes in chemosynthetic APIs (application contains oncology, nervous system, and metabolic diseases and etc.,) with a product portfolio ranging from small molecule APIs, ADC compounds (linkers and payloads) to polypeptides, also provides CDMO services of cytotoxic and OEB4/5 grade APIs.
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Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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Exatecan Mesylate

About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotech Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological API...

​Headquartered in Fengxian District, Shanghai Minbiotech Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.
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Exatecan

About the Company : Specializing in natural & oncology APIs, we establish R&D and production platforms for new salt, crystal form & synthetic biology research. We cooperate with clients for IND, NDA, ...

Specializing in natural & oncology APIs, we establish R&D and production platforms for new salt, crystal form & synthetic biology research. We cooperate with clients for IND, NDA, ANDA, 505b(2) and P-IV challenges. Exploring macromolecular APIs, we focus on Glycans & polypeptides. Expertise in XDC drugs drives innovative research & payload production. With a global registration platform & international cGMP system, we offer API CMO/CDMO services worldwide. Our strategy combines FDF and APIs. Our labs meet GMP standards with a stable R&D team, over 10 years of experience, we've delivered 20+ successful projects.
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Medlab Asia & Asia Health
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Exatecan

About the Company : JIN DUN Medical Research Institute is affiliated to Shanghai JIN DUN Industrial Co., Ltd., headquartered in Shanghai, adjacent to Hongqiao High-speed Railway Station and Hongqiao I...

JIN DUN Medical Research Institute is affiliated to Shanghai JIN DUN Industrial Co., Ltd., headquartered in Shanghai, adjacent to Hongqiao High-speed Railway Station and Hongqiao International airport. JIN DUN Medical Research Institute is committed to providing pharmaceutical intermediates and raw materials with the purpose of innovative drug research. Customized R&D and customized production services.
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Exatecan

About the Company : Xieli is an EU GMP\ Japan GMP\ Chinese GMP certified manufacturer of Botanical derivative APIs and Oncology APIs from China.A leading producer of Rutin, Troxerutin, Diosmin, Artemi...

Xieli is an EU GMP\ Japan GMP\ Chinese GMP certified manufacturer of Botanical derivative APIs and Oncology APIs from China.A leading producer of Rutin, Troxerutin, Diosmin, Artemisinin and Irinotecan HCL. DMF are available for products.Contract manufacturer for plant extraction, TCM, Solid formulation of Tablets, Granules, Capsules and etc with EU-GMP workshop.COS and cGMP application for products.R&D center, pilot scale plant, GMP workshops.
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exatecan mesylate

About the Company : Zhejiang Huida Biotech Co., Ltd. is located in Hangzhou, Zhejiang Province. It was established in 2020 and is a holding subsidiary of Huadong Medicine Co., Ltd. The company focu...

Zhejiang Huida Biotech Co., Ltd. is located in Hangzhou, Zhejiang Province. It was established in 2020 and is a holding subsidiary of Huadong Medicine Co., Ltd. The company focuses on the research and development of microbial active pharmaceutical substances (APIs), intermediates and large health products. It is a technologically innovative fermentation product research enterprise. With strong R&D strength, the company provides first-class technology, first-class service and first-class products to global customers by discovering and cultivating the most valuable microbial metabolites.
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CENTRE,","city":"AHMEDABAD, GUJARAT","supplier":"ABYDOS SCIENTIFIC","supplierCountry":"CHINA","foreign_port":"HONG KONG","customer":"INTAS PHARMACEUTICALS","customerCountry":"INDIA","quantity":"0.01","actualQuantity":"10","unit":"GMS","unitRateFc":"150","totalValueFC":"1517.6","currency":"USD","unitRateINR":"12592.5","date":"10-Feb-2024","totalValueINR":"125925","totalValueInUsd":"1517.6","indian_port":"Bombay Air","hs_no":"29339990","bill_no":"2080245","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"HONG KONG","supplierAddress":"NO.9 BUILDING, R&D ZONE 1, NO. 699-8 XUANWU DISTRICT NANJING Nanjing -210042, , China China","customerAddress":"2ND FLOOR, CHINUBHAI CENTRE,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1709231400,"product":"EXATECAN MESYLATE","address":"307, 3RD FLOOR, STUDIO COMPLEX","city":"AHMEDABAD","supplier":"SHANGHAI KAIXIN PHARMACEUTICALS ","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"K KYEMISTRY INDIA ","customerCountry":"INDIA","quantity":"0.01","actualQuantity":"5","unit":"GMS","unitRateFc":"170","totalValueFC":"858.8","currency":"USD","unitRateINR":"14263","date":"01-Mar-2024","totalValueINR":"71315","totalValueInUsd":"858.8","indian_port":"Bombay Air","hs_no":"29339990","bill_no":"2384716","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"AREA A, 1ST FLOOR, BUILDING 8, NO.15, NO. 16, LANE 1999, ZHANGHENG ROAD (SHANGHAI) PILOT FREE TRADE ZONE China","customerAddress":"307, 3RD FLOOR, STUDIO COMPLEX"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1714329000,"product":"EXATECAN MESYLATE","address":"NATCO HOUSE, ROAD NO.2,","city":"HYDERABAD, A.P.","supplier":"BIOBETTA LIMITED.,","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"NATCO PHARMA","customerCountry":"INDIA","quantity":"0.10","actualQuantity":"0.1","unit":"KGS","unitRateFc":"68000","totalValueFC":"6872.7","currency":"USD","unitRateINR":"5739200","date":"29-Apr-2024","totalValueINR":"573920","totalValueInUsd":"6872.7","indian_port":"Hyderabad Air","hs_no":"29339990","bill_no":"3256162","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"SUITE 506-507, BUILDING 35, HH PARK, NO. 2777 EAST JINXIU ROAD PUDONGNEW AREA SHANGHAI 201206, , China China","customerAddress":"NATCO HOUSE, ROAD NO.2,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1727721000,"product":"EXATECAN MESYLATE","address":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3","city":"N\/A","supplier":"COMBI BLOCKS INC","supplierCountry":"UNITED STATES","foreign_port":"STEGER, IL","customer":"SYNGENE INTERNATIONAL LIMITED","customerCountry":"INDIA","quantity":"0.00","actualQuantity":"2","unit":"GMS","unitRateFc":"318.2","totalValueFC":"640.8","currency":"USD","unitRateINR":"26922","date":"01-Oct-2024","totalValueINR":"53844","totalValueInUsd":"640.8","indian_port":"Biocon-SEZ","hs_no":"29420090","bill_no":"1012850","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"STEGER, IL","supplierAddress":"7949 SILVERTON AV SUITE 915 SAN DIEGO CA 92126 U.S.A.","customerAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3"}]
11-Jun-2021
10-Oct-2024
KGS
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
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(USD/KGS)
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Drugs in Development

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Details:

Dr. DeCillis will lead the development of the first-in-human study of Cybrexa’s lead program, CBX-12 (alphalexTM-exatecan), and early and late stage clinical programs for the Cybrexa portfolio.


Lead Product(s): Exatecan

Therapeutic Area: Oncology Brand Name: Undisclosed

Study Phase: PreclinicalProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable March 31, 2020

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01

Medlab Asia & Asia Health
Not Confirmed
Medlab Asia & Asia Health
Not Confirmed

Details : Dr. DeCillis will lead the development of the first-in-human study of Cybrexa’s lead program, CBX-12 (alphalexTM-exatecan), and early and late stage clinical programs for the Cybrexa portfolio.

Brand Name : Undisclosed

Molecule Type : Small molecule

Upfront Cash : Not Applicable

March 31, 2020

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INTERMEDIATES SUPPLIERS

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01

Medlab Asia & Asia Health
Not Confirmed
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Medlab Asia & Asia Health
Not Confirmed
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CAS Number : 110351-94-5

End Use API : Exatecan

About The Company : Hangzhou Hairui Chemical Co., Ltd. is located in the Zhongheng Century Science and Technology Park in Hangzhou, Zhejiang. It is an excellent manufacturer of org...

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02

Medlab Asia & Asia Health
Not Confirmed
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Medlab Asia & Asia Health
Not Confirmed
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CAS Number : 110351-94-5

End Use API : Exatecan

About The Company : Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is dedicated to providing services for pharmaceutical and ch...

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03

Harvechem

China
Medlab Asia & Asia Health
Not Confirmed
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Harvechem

China
Medlab Asia & Asia Health
Not Confirmed
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CAS Number : 110351-94-5

End Use API : Exatecan

About The Company : Founded in 2006, Harvechem adheres to the philosophy of ”Think for Customer” all along, devotes to providing global customers with professional and seamless...

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04

Medlab Asia & Asia Health
Not Confirmed
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Medlab Asia & Asia Health
Not Confirmed
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CAS Number : 110351-94-5

End Use API : Exatecan

About The Company : Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise, specialize in providing fine chemical, novel biochemic...

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05

Medlab Asia & Asia Health
Not Confirmed
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Medlab Asia & Asia Health
Not Confirmed
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CAS Number : 110351-94-5

End Use API : Exatecan

About The Company : Gruechem, established in 2011, is dedicated to the custom synthesis, and custom-manufacturing of building blocks, core skeletons, and molecular frameworks, whic...

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