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Chemistry

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Also known as: 1037624-75-1, R428, Bgb324, Bgb-324, R-428, Bemcentinib [usan]
Molecular Formula
C30H34N8
Molecular Weight
506.6  g/mol
InChI Key
KXMZDGSRSGHMMK-VWLOTQADSA-N
FDA UNII
0ICW2LX8AS

Bemcentinib
Bemcentinib is an orally available and selective inhibitor of the AXL receptor tyrosine kinase (UFO), with potential antineoplastic activity. Upon administration, bemcentinib targets and binds to the intracellular catalytic kinase domain of AXL and prevents its activity. This blocks AXL-mediated signal transduction pathways and inhibits the epithelial-mesenchymal transition (EMT), which, in turn, inhibits tumor cell proliferation and migration. In addition, bemcentinib enhances chemo-sensitivity. AXL, a member of the TAM (TYRO3, AXL and MER) family of receptor tyrosine kinases overexpressed by many tumor cell types, plays a key role in tumor cell proliferation, survival, invasion and metastasis; its expression is associated with drug resistance and poor prognosis.
1 2D Structure

Bemcentinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine
2.1.2 InChI
InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
2.1.3 InChI Key
KXMZDGSRSGHMMK-VWLOTQADSA-N
2.1.4 Canonical SMILES
C1CCN(C1)C2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76
2.1.5 Isomeric SMILES
C1CCN(C1)[C@H]2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76
2.2 Other Identifiers
2.2.1 UNII
0ICW2LX8AS
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bgb-324

2. Bgb324

3. R-428 Compound

4. R428 Compound

2.3.2 Depositor-Supplied Synonyms

1. 1037624-75-1

2. R428

3. Bgb324

4. Bgb-324

5. R-428

6. Bemcentinib [usan]

7. 0icw2lx8as

8. Cs-1046

9. Hy-15150

10. Qc-11751

11. Chembl3809489

12. W-5845

13. Syn-1131

14. (s)-1-(6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-n3-(7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)-1h-1,2,4-triazole-3,5-diamine

15. Kb-80319

16. 1h-1,2,4-triazole-3,5-diamine, 1-(6,7-dihydro-5h-benzo(6,7)cyclohepta(1,2-c)pyridazin-3-yl)-n3-((7s)-6,7,8,9-tetrahydro-7-(1-pyrrolidinyl)-5h-benzocyclohepten-2-yl)-

17. Unii-0icw2lx8as

18. Syn1131

19. R 428

20. R428 (bgb324)

21. Bemcentinib (r428)

22. Bemcentinib Intermediate

23. Bemcentinib [inn]

24. Bemcentinib (usan/inn)

25. Bemcentinibr428bgb324)

26. Bemcentinib [who-dd]

27. Schembl1639904

28. Gtpl10478

29. Bgb 324

30. Dtxsid70673109

31. Amy16774

32. Bcp21180

33. Ex-a1720

34. Bdbm50172079

35. Nsc824183

36. S2841

37. Who 10631

38. Zinc51951669

39. Akos032947237

40. Db12411

41. Nsc-824183

42. Ncgc00386665-07

43. Ac-28444

44. As-16270

45. D11438

46. A856079

47. Q27236818

48. Bgb324; Bgb-324; Bgb 324; R 428; R-428; Bemcentinib

49. 1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-n-[(7s)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine

50. 1-(6,7-dihydro-5h-benzo(6,7)cyclohepta(1,2-c)pyridazin-3-yl)-n3-((7s)-7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5h-benzo(7)annulen-2-yl)-1h-1,2,4-triazole-3,5-diamine

51. 1-(6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-n3-(7-(s)-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5h-benzo[7]annulene-2-yl)-1h-1,2,4-triazole-3,5-diamine

52. 1-(6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-n3-[(7s)-6,7,8,9-tetrahydro-7-(1-pyrrolidinyl)-5h-benzocyclohepten-2-yl]-1h-1,2,4-triazole-3,5-diamine;bgb324 ; Bgb-324 ; Bgb 324;r428 (bgb324; Bemcentinib)

2.4 Create Date
2010-07-06
3 Chemical and Physical Properties
Molecular Weight 506.6 g/mol
Molecular Formula C30H34N8
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass506.29064312 g/mol
Monoisotopic Mass506.29064312 g/mol
Topological Polar Surface Area97.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Bemcentinib Manufacturers

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

Bemcentinib Suppliers

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

Bemcentinib GMP

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

Bemcentinib CoA

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

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

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