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Synopsis

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Chemistry

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Also known as: 1510829-06-7, Biib-062, Bsk-4841, Fp0182, Vecabrutinib [inn], Vecabrutinib [usan]
Molecular Formula
C22H24ClF4N7O2
Molecular Weight
529.9  g/mol
InChI Key
QLRRJMOBVVGXEJ-XHSDSOJGSA-N
FDA UNII
PQ7O0OB5GU

Vecabrutinib
Vecabrutinib is an orally available second-generation, reversible inhibitor of Bruton's tyrosine kinase (BTK; Bruton agammaglobulinemia tyrosine kinase), with potential antineoplastic activity. Upon administration, vecabrutinib non-covalently binds to and inhibits the activity of both wild-type and the C481S mutated form of BTK, a resistance mutation in the BTK active site in which cysteine is substituted for serine at residue 481. This prevents the activation of the B-cell antigen receptor (BCR) signaling pathway and BTK-mediated activation of downstream survival pathways. This leads to an inhibition of the growth of malignant B-cells that overexpress BTK. Compared to other BTK inhibitors, SNS-062 does not require interaction with the BTK C481 site and inhibits the proliferation of cells harboring the BTK C481S mutation. Other irreversible BTK inhibitors covalently bind to the C481 site to inhibit BTK's activity; the C481S mutation prevents that binding. BTK, a member of the Src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed in B-cell malignancies; it plays an important role in the development, activation, signaling, proliferation and survival of B-lymphocytes.
1 2D Structure

Vecabrutinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide
2.1.2 InChI
InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1
2.1.3 InChI Key
QLRRJMOBVVGXEJ-XHSDSOJGSA-N
2.1.4 Canonical SMILES
C1CC(C(=O)N(C1)C2CN(CCC2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl
2.1.5 Isomeric SMILES
C1C[C@H](C(=O)N(C1)[C@H]2CN(CC[C@@H]2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl
2.2 Other Identifiers
2.2.1 UNII
PQ7O0OB5GU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1510829-06-7

2. Biib-062

3. Bsk-4841

4. Fp0182

5. Vecabrutinib [inn]

6. Vecabrutinib [usan]

7. Pq7o0ob5gu

8. Fp-0182

9. Sns062

10. (3r,3'r,4's)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxo[1,3'-bipiperidine]-4'-carboxamide

11. (3r,3'r,4's)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-((3-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxo-(1,3'-bipiperidine)-4'-carboxamide

12. (3r,3'r,4's)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-((3-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxo-[1,3'-bipiperidine]-4'-carboxamide

13. Unii-pq7o0ob5gu

14. Vecabrutinib (usan/inn)

15. Vecabrutinib [usan:inn]

16. Biib062

17. Vecabrutinib [who-dd]

18. Chembl4297640

19. Schembl16765727

20. Gtpl10231

21. Bcp29646

22. Ex-a3159

23. Bdbm50546200

24. Fp-182

25. Nsc810114

26. Who 10643

27. Zb1596

28. Nsc-810114

29. Ac-36339

30. Hy-109078

31. Cs-0033553

32. D11428

33. (1,3'-bipiperidine)-4'-carboxamide, 1'-(6-amino-5-fluoro-4-pyrimidinyl)-3-((3-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxo-, (3r,3'r,4's)-

34. (3r,4s)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3r)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide

2.4 Create Date
2014-01-06
3 Chemical and Physical Properties
Molecular Weight 529.9 g/mol
Molecular Formula C22H24ClF4N7O2
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass529.1616134 g/mol
Monoisotopic Mass529.1616134 g/mol
Topological Polar Surface Area131 Ų
Heavy Atom Count36
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Vecabrutinib Manufacturers

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

Vecabrutinib Suppliers

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

Vecabrutinib GMP

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

Vecabrutinib CoA

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

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

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