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    Technical details about Fenebrutinib, learn more about the structure, uses, toxicity, action, side effects and more

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    Fenebrutinib

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    DIGITAL CONTENT

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    2D Structure
    1. 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 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

    2D Structure

    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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