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Chemistry

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Also known as: Peposertib, 1637542-33-6, M3814, Msc2490484a, M-3814, Msc-2490484a
Molecular Formula
C24H21ClFN5O3
Molecular Weight
481.9  g/mol
InChI Key
MOWXJLUYGFNTAL-DEOSSOPVSA-N
FDA UNII
GN429E725A

Peposertib
Peposertib is an orally bioavailable inhibitor of DNA-dependent protein kinase (DNA-PK) with potential antineoplastic activity, and potential sensitizing and enhancing activities for both chemo- and radiotherapies. Upon administration, peposertib binds to and inhibits the activity of DNA-PK, thereby interfering with the non-homologous end joining (NHEJ) process and preventing repair of DNA double strand breaks (DSBs) caused by ionizing radiation or chemotherapeutic treatment. This increases chemo- and radiotherapy cytotoxicity and leads to enhanced tumor cell death. The enhanced ability of tumor cells to repair DSBs plays a major role in the resistance of tumor cells to chemo- and radiotherapy; DNA-PK plays a key role in the NHEJ pathway and DSB repair.
1 2D Structure

Peposertib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
2.1.2 InChI
InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
2.1.3 InChI Key
MOWXJLUYGFNTAL-DEOSSOPVSA-N
2.1.4 Canonical SMILES
COC1=NN=C(C=C1)C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O
2.1.5 Isomeric SMILES
COC1=NN=C(C=C1)[C@H](C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O
2.2 Other Identifiers
2.2.1 UNII
GN429E725A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (s)-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)(6-methoxypyridazin-3-yl)methanol

2. M3814

3. Peposertib

2.3.2 Depositor-Supplied Synonyms

1. Peposertib

2. 1637542-33-6

3. M3814

4. Msc2490484a

5. M-3814

6. Msc-2490484a

7. Gn429e725a

8. (s)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

9. (s)-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)(6-methoxypyridazin-3-yl)methanol

10. Nedisertib [inn]

11. M-3814(nedisertib)

12. Peposertib [inn]

13. Nedisertib (deleted Inn)

14. Peposertib [who-dd]

15. Unii-gn429e725a

16. Gtpl9766

17. Chembl4297629

18. Schembl16235559

19. Bdbm315715

20. Ex-a1679

21. Mfcd31619234

22. Msc 2490484a

23. Nsc802822

24. Nsc816960

25. Us10172859, Example 136

26. Msc 2490484a [who-dd]

27. Nsc-802822

28. Nsc-816960

29. Example 136 [wo2014183850]

30. Hy-101570

31. Cs-0021723

32. 3-pyridazinemethanol, .alpha.-(2-chloro-4-fluoro-5-(7-(4-morpholinyl)-4-quinazolinyl)phenyl)-6-methoxy-, (.alpha.s)-

33. 3-pyridazinemethanol, Alpha-(2-chloro-4-fluoro-5-(7-(4-morpholinyl)-4-quinazolinyl)phenyl)-6-methoxy-, (alphas)-

2.4 Create Date
2014-12-29
3 Chemical and Physical Properties
Molecular Weight 481.9 g/mol
Molecular Formula C24H21ClFN5O3
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass481.1316954 g/mol
Monoisotopic Mass481.1316954 g/mol
Topological Polar Surface Area93.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


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ABOUT THIS PAGE

Looking for 1637542-33-6 / Peposertib API manufacturers, exporters & distributors?

Peposertib manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Peposertib API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Peposertib manufacturer or Peposertib supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Peposertib manufacturer or Peposertib supplier.

PharmaCompass also assists you with knowing the Peposertib API Price utilized in the formulation of products. Peposertib API Price is not always fixed or binding as the Peposertib Price is obtained through a variety of data sources. The Peposertib Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Peposertib

Synonyms

1637542-33-6, M3814, Msc2490484a, M-3814, Msc-2490484a, Gn429e725a

Cas Number

1637542-33-6

Unique Ingredient Identifier (UNII)

GN429E725A

About Peposertib

Peposertib is an orally bioavailable inhibitor of DNA-dependent protein kinase (DNA-PK) with potential antineoplastic activity, and potential sensitizing and enhancing activities for both chemo- and radiotherapies. Upon administration, peposertib binds to and inhibits the activity of DNA-PK, thereby interfering with the non-homologous end joining (NHEJ) process and preventing repair of DNA double strand breaks (DSBs) caused by ionizing radiation or chemotherapeutic treatment. This increases chemo- and radiotherapy cytotoxicity and leads to enhanced tumor cell death. The enhanced ability of tumor cells to repair DSBs plays a major role in the resistance of tumor cells to chemo- and radiotherapy; DNA-PK plays a key role in the NHEJ pathway and DSB repair.

Peposertib Manufacturers

A Peposertib manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Peposertib, including repackagers and relabelers. The FDA regulates Peposertib manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Peposertib API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Peposertib Suppliers

A Peposertib supplier is an individual or a company that provides Peposertib active pharmaceutical ingredient (API) or Peposertib finished formulations upon request. The Peposertib suppliers may include Peposertib API manufacturers, exporters, distributors and traders.

Peposertib GMP

Peposertib Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Peposertib GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Peposertib GMP manufacturer or Peposertib GMP API supplier for your needs.

Peposertib CoA

A Peposertib CoA (Certificate of Analysis) is a formal document that attests to Peposertib's compliance with Peposertib specifications and serves as a tool for batch-level quality control.

Peposertib CoA mostly includes findings from lab analyses of a specific batch. For each Peposertib CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Peposertib may be tested according to a variety of international standards, such as European Pharmacopoeia (Peposertib EP), Peposertib JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Peposertib USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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