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Chemistry

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Also known as: Gdc-0853, 1434048-34-6, Rg7845, Gdc0853, Rg-7845, Fenebrutinib [inn]
Molecular Formula
C37H44N8O4
Molecular Weight
664.8  g/mol
InChI Key
WNEODWDFDXWOLU-QHCPKHFHSA-N
FDA UNII
E9L2885WUL

Fenebrutinib
Fenebrutinib is an orally available inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Upon administration, fenebrutinib inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. This prevents both B-cell activation and BTK-mediated activation of downstream survival pathways, which leads to the inhibition of the growth of malignant B-cells that overexpress BTK. 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 B-lymphocyte development, activation, signaling, proliferation and survival.
1 2D Structure

Fenebrutinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]pyridin-2-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
2.1.2 InChI
InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
2.1.3 InChI Key
WNEODWDFDXWOLU-QHCPKHFHSA-N
2.1.4 Canonical SMILES
CC1CN(CCN1C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO)C8COC8
2.1.5 Isomeric SMILES
C[C@H]1CN(CCN1C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO)C8COC8
2.2 Other Identifiers
2.2.1 UNII
E9L2885WUL
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-(3,4'-bipyridin)-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-1(6h)-one

2. Gdc-0853

2.3.2 Depositor-Supplied Synonyms

1. Gdc-0853

2. 1434048-34-6

3. Rg7845

4. Gdc0853

5. Rg-7845

6. Fenebrutinib [inn]

7. Fenebrutinib [usan]

8. Ro7010939

9. E9l2885wul

10. (s)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one

11. Chembl4065122

12. G02599853

13. Ro-7010939

14. G-02599853

15. 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]pyridin-2-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

16. 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one

17. Fenebrutinib (usan/inn)

18. Fenebrutinib [usan:inn]

19. Unii-e9l2885wul

20. Fenebrutinib (gdc-0853)

21. Fenebrutinib [who-dd]

22. Gtpl9299

23. Schembl14912882

24. Bcp19175

25. Ex-a1308

26. Gdc 0853

27. Gdc-0853gdc-0853

28. Bdbm50244440

29. Nsc798202

30. S8421

31. Zinc220197997

32. Cs-5927

33. Db14785

34. Gdc-0853(rg7845)

35. Nsc-798202

36. Ac-32585

37. Bs-15120

38. Hy-19834

39. Rg-7845 (gdc-0853)

40. Example 130 [us20140194408]

41. J3.615.209e

42. A16339

43. D11457

44. A904370

45. Q23304817

46. (s)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl- 4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-(3,4'-bipyridin)-2'-yl)-7,7-dimethyl-2,3,4,6,7,8-hexahydro-1h-cyclopenta (4,5)pyrrolo(1,2-a)pyrazin-1-one

47. 2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-(3,4'-bipyridin)-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-1(6h)-one

48. 2h-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-1(6h)-one, 2-(1,6-dihydro-3'-(hydroxymethyl)-1-methyl-5-((5-((2s)-2-methyl-4-(3-oxetanyl)-1-piperazinyl)-2-pyridinyl)amino)-6-oxo(3,4'-bipyridin)-2'-yl)-3,4,7,8-tetrahydro-7,7-dimethyl-

49. 2h-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-1(6h)-one, 2-(1,6-dihydro-3'-(hydroxymethyl)-1-methyl-5-((5-((2s)-2-methyl-4-(3-oxetanyl)-1-piperazinyl)-2-pyridinyl)amino)-6-oxo(3,4'-bipyridin)-2'-yl)3,4,7,8-tetrahydro-7,7-dimethyl-

50. 9aj

2.4 Create Date
2015-01-20
3 Chemical and Physical Properties
Molecular Weight 664.8 g/mol
Molecular Formula C37H44N8O4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass664.34855191 g/mol
Monoisotopic Mass664.34855191 g/mol
Topological Polar Surface Area119 Ų
Heavy Atom Count49
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of multiple sclerosis


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ABOUT THIS PAGE

Fenebrutinib Manufacturers

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

Fenebrutinib Suppliers

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

Fenebrutinib GMP

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

Fenebrutinib CoA

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

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

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