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Chemistry

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Also known as: 1073154-85-4, Pf-04554878, Vs-6063, 1345713-71-4, Defactinib (vs-6063, pf-04554878), N-methyl-4-((4-(((3-(n-methylmethylsulfonamido)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
Molecular Formula
C20H21F3N8O3S
Molecular Weight
510.5  g/mol
InChI Key
FWLMVFUGMHIOAA-UHFFFAOYSA-N
FDA UNII
53O87HA2QU

Defactinib
Defactinib is an orally bioavailable, small-molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activities. Defactinib inhibits FAK, which may prevent the integrin-mediated activation of several downstream signal transduction pathways, including those involving RAS/MEK/ERK and PI3K/Akt, thus inhibiting tumor cell migration, proliferation, survival, and tumor angiogenesis. The tyrosine kinase FAK, a signal transducer for integrins, is normally activated by binding to integrins in the extracellular matrix (ECM) but may be upregulated and constitutively activated in various tumor cell types.
1 2D Structure

Defactinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
2.1.2 InChI
InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
2.1.3 InChI Key
FWLMVFUGMHIOAA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
53O87HA2QU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-methyl-4-((4-(((3-methyl(methylsulfonyl)aminopyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide

2. Pf-04554878

3. Vs-6063

2.3.2 Depositor-Supplied Synonyms

1. 1073154-85-4

2. Pf-04554878

3. Vs-6063

4. 1345713-71-4

5. Defactinib (vs-6063, Pf-04554878)

6. N-methyl-4-((4-(((3-(n-methylmethylsulfonamido)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide

7. N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

8. 53o87ha2qu

9. Vs 6063

10. Benzamide, N-methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)-2-pyrazinyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-

11. Vs6063

12. N-methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide

13. N-methyl-4-((4-(((3-methyl(methylsulfonyl)aminopyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide

14. Defactinib [usan:inn]

15. Unii-53o87ha2qu

16. Defactinib [usan]

17. Defactinib [inn]

18. Defactinib (usan/inn)

19. Pf 04554878

20. Defactinib [who-dd]

21. Gtpl7910

22. Schembl1627234

23. Chembl3137331

24. Bdbm418817

25. Dtxsid901025937

26. Hms3740o13

27. Amy42170

28. Bcp11299

29. Ex-a1037

30. Ex-a1049

31. Mfcd25977806

32. Nsc778364

33. Nsc781450

34. Nsc782549

35. Nsc800089

36. S7654

37. Us10450297, Example 317

38. Us10450297, Example 318

39. Akos026750300

40. Zinc103297739

41. Ccg-269780

42. Cs-3410

43. Db12282

44. Nsc-778364

45. Nsc-781450

46. Nsc-782549

47. Nsc-800089

48. Sb17060

49. Ncgc00386425-06

50. Ncgc00386425-11

51. Ac-35820

52. As-17045

53. Da-34914

54. Da-45890

55. Hy-12289

56. Ft-0706351

57. Ft-0721609

58. J3.502.756d

59. D10618

60. A887883

61. J-690021

62. Q27077009

63. 7kd

64. N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]pyrazin-2- Yl}methyl)amino]-5- (trifluoromethyl)pyrimidin-2- Yl}amino)benzamide (317)

65. N-methyl-4-(4-((3-(n-methylmethylsulfonamido)pyrazin-2-yl)methylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)benzamide

2.4 Create Date
2009-01-19
3 Chemical and Physical Properties
Molecular Weight 510.5 g/mol
Molecular Formula C20H21F3N8O3S
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass510.14094222 g/mol
Monoisotopic Mass510.14094222 g/mol
Topological Polar Surface Area151 Ų
Heavy Atom Count35
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Defactinib Manufacturers

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

Defactinib Suppliers

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

Defactinib GMP

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

Defactinib CoA

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

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

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