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Chemistry

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Also known as: Astx-029, Compound 15 [pmid: 34387469], Compound 15 (pmid: 34387469), 2h-isoindole-2-acetamide, 6-(5-chloro-2-((tetrahydro-2h-pyran-4-yl)amino)-4-pyrimidinyl)-n-((1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)-1,3-dihydro-alpha-methyl-1-oxo-, (alphar)-, 2h-isoindole-2-acetamide, 6-[5-chloro-2-[(tetrahydro-2h-pyran-4-yl)amino]-4-pyrimidinyl]-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-alpha-methyl-1-oxo-, (alphar)-, Erk inhibitor astx029
Molecular Formula
C29H31ClFN5O5
Molecular Weight
584.0  g/mol
InChI Key
BVRGQPJKSKKGIH-PUAOIOHZSA-N
FDA UNII
14FDK6ISC9

Beroterkib
Beroterkib Anhydrous is the anhydrous form of beroterkib, an orally bioavailable inhibitor of the extracellular signal-regulated kinases (ERK) 1 and 2, with potential antineoplastic activity. Upon administration, beroterkib specifically binds to and inhibits both ERK 1 and 2, thereby preventing the activation of mitogen-activated protein kinase (MAPK)/ERK-mediated signal transduction pathways. This results in the inhibition of ERK-dependent tumor cell proliferation and survival. The MAPK/ERK pathway is often upregulated in a variety of tumor cell types and plays a key role in the proliferation, differentiation and survival of tumor cells.
1 2D Structure

Beroterkib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
2.1.2 InChI
InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1
2.1.3 InChI Key
BVRGQPJKSKKGIH-PUAOIOHZSA-N
2.2 Other Identifiers
2.2.1 UNII
14FDK6ISC9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(6-(5-chloro-2-((oxan-4-yl)amino)pyrimidin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-2-yl)-n-(1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)propanamide

2.3.2 Depositor-Supplied Synonyms

1. Astx-029

2. Compound 15 [pmid: 34387469]

3. Compound 15 (pmid: 34387469)

4. 2h-isoindole-2-acetamide, 6-(5-chloro-2-((tetrahydro-2h-pyran-4-yl)amino)-4-pyrimidinyl)-n-((1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)-1,3-dihydro-alpha-methyl-1-oxo-, (alphar)-

5. 2h-isoindole-2-acetamide, 6-[5-chloro-2-[(tetrahydro-2h-pyran-4-yl)amino]-4-pyrimidinyl]-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-alpha-methyl-1-oxo-, (alphar)-

6. Erk Inhibitor Astx029

7. Erk 1/2 Inhibitor Astx029

8. Extracellular Signal-regulated Kinase Inhibitor Astx029

9. Extracellular Signal-regulated Kinase 1/2 Inhibitor Astx029

10. 2-(6-(5-chloro-2-((oxan-4-yl)amino)pyrimidin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-2-yl)-n-(1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)propanamide

11. 2h-isoindole-2-acetamide, 6-(5-chloro-2-((tetrahydro-2h-pyran-4-yl)amino)-4-pyrimidinyl)-n-((1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)-1,3-dihydro-.alpha.-methyl-1-oxo-, (.alpha.r)-

12. 2095719-92-7

13. Erk1/2 Inhibitor 2

14. (alphar)-6-[5-chloro-2-[(tetrahydro-2h-pyran-4-yl)amino]-4-pyrimidinyl]-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-alpha-methyl-1-oxo-2h-isoindole-2-acetamide

15. 14fdk6isc9

16. (2r)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1h-isoindol-2-yl]-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

17. Beroterkib

18. (r)-2-(6-(5-chloro-2-((tetrahydro-2h-pyran-4-yl)amino)pyrimidin-4-yl)-1-oxoisoindolin-2-yl)-n-((s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)propanamide

19. (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide

20. Beroterkib [inn]

21. Beroterkib Anhydrous

22. Unii-14fdk6isc9

23. Chembl4847260

24. Schembl18765557

25. Gtpl11727

26. Bdbm418007

27. Ex-a4375

28. Nsc836440

29. Us10457669, Example 685

30. Akos040759413

31. Erk1/2 Inhibitor 2(astx-029)?

32. Nsc-836440

33. Us10457669, Example 1083

34. Ac-36904

35. At-35029

36. Ts-09810

37. Hy-126288

38. Cs-0101412

39. G17546

40. (

41. Ar)-6-[5-chloro-2-[(tetrahydro-2h-pyran-4-yl)amino]-4-pyrimidinyl]-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-

42. A-methyl-1-oxo-2h-isoindole-2-acetamide

43. (2r)-2-(6-(5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-2-yl)-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

44. (2r)-2-(6-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-1,3-dihydro-2h-1-oxoisoindol-2-yl)-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

45. (2r)-2-{6-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-1-oxo-3h-isoindol-2-yl}-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

46. (r)-2-(6-{5-chloro-2-[(tetrahydro-2h-pyran-4-yl)amino]pyrimidin-4-yl}-1-oxoisoindolin-2-yl)-n-[(s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propenamide

47. Ryw

2.4 Create Date
2017-08-04
3 Chemical and Physical Properties
Molecular Weight 584.0 g/mol
Molecular Formula C29H31ClFN5O5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area126
Heavy Atom Count41
Formal Charge0
Complexity900
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Looking for 2095719-92-7 / Beroterkib API manufacturers, exporters & distributors?

Beroterkib manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Beroterkib 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 Beroterkib manufacturer or Beroterkib supplier for your needs.

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

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

API | Excipient name

Beroterkib

Synonyms

Astx-029, Compound 15 [pmid: 34387469], Compound 15 (pmid: 34387469), 2h-isoindole-2-acetamide, 6-(5-chloro-2-((tetrahydro-2h-pyran-4-yl)amino)-4-pyrimidinyl)-n-((1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)-1,3-dihydro-alpha-methyl-1-oxo-, (alphar)-, 2h-isoindole-2-acetamide, 6-[5-chloro-2-[(tetrahydro-2h-pyran-4-yl)amino]-4-pyrimidinyl]-n-[(1s)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-alpha-methyl-1-oxo-, (alphar)-, Erk inhibitor astx029

Cas Number

2095719-92-7

Unique Ingredient Identifier (UNII)

14FDK6ISC9

About Beroterkib

Beroterkib Anhydrous is the anhydrous form of beroterkib, an orally bioavailable inhibitor of the extracellular signal-regulated kinases (ERK) 1 and 2, with potential antineoplastic activity. Upon administration, beroterkib specifically binds to and inhibits both ERK 1 and 2, thereby preventing the activation of mitogen-activated protein kinase (MAPK)/ERK-mediated signal transduction pathways. This results in the inhibition of ERK-dependent tumor cell proliferation and survival. The MAPK/ERK pathway is often upregulated in a variety of tumor cell types and plays a key role in the proliferation, differentiation and survival of tumor cells.

Beroterkib Manufacturers

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

Beroterkib Suppliers

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

Beroterkib GMP

Beroterkib 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 Beroterkib 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 Beroterkib GMP manufacturer or Beroterkib GMP API supplier for your needs.

Beroterkib CoA

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

Beroterkib CoA mostly includes findings from lab analyses of a specific batch. For each Beroterkib 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.

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