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Chemistry

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Also known as: Mmae, 474645-27-7, Schembl16645126, Ex-a636, Monomethyl auristatin e (vedotin), Akos032947340
Molecular Formula
C39H67N5O7
Molecular Weight
718.0  g/mol
InChI Key
DASWEROEPLKSEI-AWNAIHLBSA-N

Monomethyl Auristatin E
1 2D Structure

Monomethyl Auristatin E

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-N-[(2S)-1-[[(3R,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
2.1.2 InChI
InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34?,35+,36+/m0/s1
2.1.3 InChI Key
DASWEROEPLKSEI-AWNAIHLBSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC
2.1.5 Isomeric SMILES
CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Mmae

2. 474645-27-7

3. Schembl16645126

4. Ex-a636

5. Monomethyl Auristatin E (vedotin)

6. Akos032947340

7. D09691

2.3 Create Date
2011-08-02
3 Chemical and Physical Properties
Molecular Weight 718.0 g/mol
Molecular Formula C39H67N5O7
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass717.50404949 g/mol
Monoisotopic Mass717.50404949 g/mol
Topological Polar Surface Area150 Ų
Heavy Atom Count51
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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Cohance Lifesciences

India

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Cohance

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Chongqing Sintaho Pharmaceutical

China

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Virtual BoothChongqing Sintaho Pharma: A trusted partner globally for chemosynthetic APIs.

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Chongqing Sintaho Pharmaceutical

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Shanghai Minbiotech

China

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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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Shanghai Minbiotech CB

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WuXi AppTec

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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WuXi AppTec

China

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Zhejiang Huida Biotech

China

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Zhejiang Huida Biotech

China

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Waterstone Pharmaceuticals Inc.

China

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AES 2024
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Waterstone Pharmaceuticals Inc.

China

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Haoyuan Chemexpress Co.Ltd

China

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AES 2024
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Haoyuan Chemexpress Co.Ltd

China

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Levena Biopharma

China

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Levena Biopharma

China

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USDMF

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AES 2024
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AES 2024
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AES 2024
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Listed Suppliers

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01

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AES 2024
Not Confirmed
  • fda
  • EDQM
  • WHO-GMP

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

Flag India
Digital Content Digital Content

Monomethyl Auristatin E

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.
Cohance

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AES 2024
Not Confirmed
  • fda
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Virtual BoothChongqing Sintaho Pharma: A trusted partner globally for chemosynthetic APIs.

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MMAE

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.
Chongqing Sintaho Pharmaceutical

03

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AES 2024
Not Confirmed
  • fda
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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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MMAE

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.
Shanghai Minbiotech CB
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API Reference Price

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[{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1724956200,"product":"VEDOTIN(MC-VC-PAB-MMAE) BTCH NO:A012420052","address":"AKOTA ROAD, AKOTA","city":"BARODA","supplier":"SUN PHARMACEUTICAL INDUSTRIES LIMITED","supplierCountry":"INDIA","foreign_port":"SHANGHAI PUDONG INTERNATIONAL APT, 31","customer":"MABPLEX INTERNATIONAL LTD","customerCountry":"CHINA","quantity":"0.10","actualQuantity":"98.555","unit":"GMS","unitRateFc":"1741.4","totalValueFC":"169616.3","currency":"USD","unitRateINR":144357.66394399066,"date":"30-Aug-2024","totalValueINR":"14227169.57","totalValueInUsd":"169616.3","indian_port":"Ahmedabad Air","hs_no":"29337990","bill_no":"3601046","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"Ahmedabad Air","supplierAddress":"AKOTA ROAD, AKOTA, BARODA","customerAddress":""},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q3","strtotime":1660674600,"product":"MMAE (MONOMETHYL AURISTATIN E)","address":"Plot No 5 & 6\/1, Savli G.I.D.C. Est Savli Vadodara Highway, Manjusar Va","city":"BARODA","supplier":"SHANGHAI KAIXIN PHARMACEUTICAL","supplierCountry":"CHINA","foreign_port":"NA","customer":"SUN PHARMACEUTICAL INDUSTRIES LIMITED","customerCountry":"INDIA","quantity":"0.01","actualQuantity":"10","unit":"GMS","unitRateFc":"318","totalValueFC":"3207.3","currency":"USD","unitRateINR":"25519.5","date":"17-Aug-2022","totalValueINR":"255195","totalValueInUsd":"3207.3","indian_port":"BOMBAY AIR","hs_no":"29349990","bill_no":"2046208","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"Plot No 5 & 6\/1, Savli G.I.D.C. Est Savli Vadodara Highway, Manjusar Va"}]
17-Aug-2022
30-Aug-2024
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