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    Sitravatinib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 21,020Xls

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    2D Structure
    Also known as: 1123837-84-2, Mgcd516, Mg-516, Mgcd-516, Sitravatinib [inn], Cwg62q1vtb
    Molecular Formula
    C33H29F2N5O4S
    Molecular Weight
    629.7  g/mol
    InChI Key
    WLAVZAAODLTUSW-UHFFFAOYSA-N
    FDA UNII
    CWG62Q1VTB
    Sitravatinib is an orally bioavailable, receptor tyrosine kinase (RTK) inhibitor with potential antineoplastic activity. Upon administration, sitravatinib binds to and inhibits the activity of several RTKs including hepatocyte growth factor receptor (HGFR; c-Met; MET), tyrosine-protein kinase receptor UFO (AXL receptor tyrosine kinase; AXL), mast/stem cell growth factor receptor (SCFR; c-kit; KIT), the receptor tyrosine kinase MER, discoidin domain receptor 2 (DDR2), vascular endothelial growth factor receptor (VEGFR) types 1 (VEGFR-1; FLT1), 2 (VEGFR-2; KDR; Flk-1) and 3 (VEGFR-3), members of the platelet-derived growth factor receptor (PDGFR) family, RET (rearranged during transfection), tropomyosin-related kinases (TRK) and members of the ephrin (Eph) family of receptor tyrosine kinases. This may result in both the inhibition of signal transduction pathways mediated by these RTKs and the reduction of tumor cell proliferation in cancer cell types that overexpress these RTKs.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-N'-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
    2.1.2 InChI
    InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
    2.1.3 InChI Key
    WLAVZAAODLTUSW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    CWG62Q1VTB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mgcd516

    2.3.2 Depositor-Supplied Synonyms

    1. 1123837-84-2

    2. Mgcd516

    3. Mg-516

    4. Mgcd-516

    5. Sitravatinib [inn]

    6. Cwg62q1vtb

    7. Sitravatinib (mgcd516)

    8. Mg-91516

    9. Mg516

    10. 1-n'-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

    11. N-(3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

    12. 1,1-cyclopropanedicarboxamide, N-(3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)-2-pyridinyl)thieno(3,2-b)pyridin-7-yl)oxy)phenyl)-n'-(4-fluorophenyl)-

    13. 1,1-cyclopropanedicarboxamide, N-[3-fluoro-4-[[2-[5-[[(2-methoxyethyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy]phenyl]-n'-(4- Fluorophenyl)-

    14. N-(3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno(3,2-b)pyridin-7-yl)oxy)phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

    15. Unii-cwg62q1vtb

    16. Sitravatinib (usan/inn)

    17. Sitravatinib [usan:inn]

    18. Sitravatinib [usan]

    19. Schembl172015

    20. Sitravatinib [who-dd]

    21. Gcd516

    22. Gtpl9920

    23. Chembl3989926

    24. Mgcd516;mg516

    25. Gcd-516

    26. Dtxsid801100124

    27. Bcp29099

    28. Ex-a2588

    29. Bdbm50467574

    30. Nsc788203

    31. S8573

    32. Zinc164334830

    33. Ccg-270287

    34. Cs-5652

    35. Db15036

    36. Nsc-788203

    37. Sb17195

    38. Ncgc00483926-01

    39. Ac-36164

    40. Bs-14332

    41. Bs166446

    42. Hy-16961

    43. D11140

    44. D83649

    45. A910305

    46. Q27275860

    47. Mgcd516;mgcd-516;mgcd 516;mg516;mg 516;mg-516

    48. 1609655-67-5

    2.4 Create Date
    2009-04-13
    3 Chemical and Physical Properties
    Molecular Weight 629.7 g/mol
    Molecular Formula C33H29F2N5O4S
    XLogP35.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count12
    Exact Mass629.19083192 g/mol
    Monoisotopic Mass629.19083192 g/mol
    Topological Polar Surface Area143 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity1000
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1