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    Crenolanib

    INTERMEDIATES

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 670220-88-9, Crenolanib (cp-868596), Cp-868596, Aro-002, Crenolanib [usan], Cp-868,596
    Molecular Formula
    C26H29N5O2
    Molecular Weight
    443.5  g/mol
    InChI Key
    DYNHJHQFHQTFTP-UHFFFAOYSA-N
    FDA UNII
    LQF7I567TQ
    Crenolanib is an orally bioavailable benzimidazole targeting the platelet-derived growth factor receptor (PDGFR) subtypes alpha and beta and FMS-related tyrosine kinase 3 (Flt3), with potential antineoplastic activity. Upon oral administration, crenolanib binds to and inhibits both wild-type and mutated forms of PDGFR and Flt3, which may result in the inhibition of PDGFR- and Flt3-related signal transduction pathways. This results in inhibition of tumor angiogenesis and tumor cell proliferation in PDGFR and/or Flt3 overexpressing tumor cells. PDGFR and Flt3, class III receptor tyrosine kinases, are upregulated or mutated in many tumor cell types.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
    2.1.2 InChI
    InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
    2.1.3 InChI Key
    DYNHJHQFHQTFTP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4
    2.2 Other Identifiers
    2.2.1 UNII
    LQF7I567TQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cp-868,596

    2.3.2 Depositor-Supplied Synonyms

    1. 670220-88-9

    2. Crenolanib (cp-868596)

    3. Cp-868596

    4. Aro-002

    5. Crenolanib [usan]

    6. Cp-868,596

    7. Aro 002

    8. Cp 868596

    9. 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1h-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine

    10. Lqf7i567tq

    11. Cp868569

    12. Crenolanib (usan)

    13. Mfcd21609260

    14. 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine

    15. 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine

    16. 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine

    17. 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1h-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine.

    18. 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine

    19. Cp-868

    20. Cp868596

    21. Crenolanib [usan:inn]

    22. Unii-lqf7i567tq

    23. Crenolanibum

    24. Cp-868596 (crenolanib)

    25. 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1h-benzimidazol-1-yl)quinolin-8-yl)piperidin-4-amine

    26. 6t2

    27. Cp-868569

    28. Crenolanib [inn]

    29. Crenolanib,cp-868596

    30. [1-[2-[5-(3-methyloxetan-3-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]amine

    31. Crenolanib [who-dd]

    32. Mls006010956

    33. Crenolanib - Cp-868569

    34. Gtpl7882

    35. Schembl2730601

    36. Chembl2105728

    37. Dtxsid50985873

    38. Ex-a215

    39. Chebi:145365

    40. Bdbm185149

    41. Hms3656f19

    42. Bcp02384

    43. Zinc3820043

    44. Nsc763526

    45. Nsc800079

    46. S2730

    47. Akos026750597

    48. Bcp9000551

    49. Ccg-264988

    50. Cs-0566

    51. Db11832

    52. Nsc-763526

    53. Nsc-800079

    54. Sb16603

    55. Ncgc00346658-01

    56. Ncgc00346658-09

    57. 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1h-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine

    58. Ac-32071

    59. As-57698

    60. Hy-13223

    61. Smr004702760

    62. Sy237889

    63. Ft-0665221

    64. Sw218293-2

    65. D10102

    66. J-502712

    67. Q5184160

    68. Cp-868596;cp 868596;cp868596;aro 002

    69. 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1h-benzimidazol-1-yl]-8-quinolinyl]-4-piperidinamine

    70. 1-{2-[5-(3-methyl-oxetan-3-ylmethoxy)-benzoimidazol-1-yl]-quinolin-8-yl}-piperidin-4-ylamine

    71. 4-piperidinamine, 1-(2-(5-((3-methyl-3-oxetanyl)methoxy)-1h-benzimidazol-1-yl)-8-quinolinyl)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 443.5 g/mol
    Molecular Formula C26H29N5O2
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass443.23212518 g/mol
    Monoisotopic Mass443.23212518 g/mol
    Topological Polar Surface Area78.4 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity667
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)