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    CYC116

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 693228-63-6, Cyc-116, Cyc116, Chembl482967, Kinome_636, 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
    Molecular Formula
    C18H20N6OS
    Molecular Weight
    368.5  g/mol
    InChI Key
    GPSZYOIFQZPWEJ-UHFFFAOYSA-N
    FDA UNII
    YAX4981K2D
    CYC116 is a novel anticancer compound with a unique target profile involving both cell cycle and angiogenesis inhibition mechanisms. In preclinical studies, CYC116 has demonstrated antitumor activity in both solid tumors and hematological cancers. Cyclacel's small molecule investigational drug, CYC116, is the third orally-available Cyclacel drug to enter development, which demonstrated anticancer activity with a mechanism consistent with inhibition of Aurora kinase.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
    2.1.2 InChI
    InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
    2.1.3 InChI Key
    GPSZYOIFQZPWEJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
    2.2 Other Identifiers
    2.2.1 UNII
    YAX4981K2D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cyc 116

    2. Cyc-116

    3. Cyc116

    2.3.2 Depositor-Supplied Synonyms

    1. 693228-63-6

    2. Cyc-116

    3. Cyc116

    4. Chembl482967

    5. Kinome_636

    6. 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

    7. 4-methyl-5-(2-((4-morpholinophenyl)amino)-pyrimidin-4-yl)thiazol-2-amine

    8. 4-methyl-5-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)thiazol-2-amine

    9. Cyc 116

    10. 2uue

    11. 2c5t

    12. Cyc-116(antitumor)

    13. Mls006011244

    14. Schembl2074998

    15. Yax4981k2d

    16. Cyc 116 [who-dd]

    17. Ex-a753

    18. Bcpp000273

    19. Hms3244o11

    20. Hms3244o12

    21. Hms3244p11

    22. Hms3654o14

    23. Bcp01887

    24. Zinc3950132

    25. Bdbm50277583

    26. Mfcd14155805

    27. Nsc759498

    28. Nsc800082

    29. S1171

    30. 4-(2-amino-4-methylthiazol-5-yl)-n-(4-morpholinophenyl)pyrimidin-2-amine

    31. Akos015897897

    32. Bcp9000562

    33. Ccg-264845

    34. Cs-0112

    35. Nsc-759498

    36. Nsc-800082

    37. Sb16587

    38. Ncgc00263204-01

    39. Ncgc00263204-10

    40. Ac-32833

    41. As-16201

    42. Hy-10558

    43. Smr004703003

    44. Ft-0700350

    45. Sw219491-1

    46. 228c636

    47. A866869

    48. J-515754

    49. 2-[[4-morpholinophenyl]amino]-4-(2-amino-4-methylthiazole-5-yl)pyrimidine

    50. [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-morpholin-4-yl-phenyl)-amine

    51. 2-amino-4-methyl-1,3-thiazol-5-yl)-n-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, 5

    52. 2-pyrimidinamine, 4-(2-amino-4-methyl-5-thiazolyl)-n-(4-(4-morpholinyl)phenyl)-

    53. 2-pyrimidinamine,4-(2-amino-4-methyl-5-thiazolyl)-n-[4-(4-morpholinyl)phenyl]-

    54. 4-(2-amino-4-methyl-5-thiazolyl)-n-[4-(4-morpholinyl)phenyl]- 2-pyrimidinamine

    55. 4-(2-amino-4-methyl-5-thiazolyl)-n-[4-(4-morpholinyl)phenyl]-2-pyrimidinamine

    2.4 Create Date
    2006-04-27
    3 Chemical and Physical Properties
    Molecular Weight 368.5 g/mol
    Molecular Formula C18H20N6OS
    XLogP32.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass368.14193046 g/mol
    Monoisotopic Mass368.14193046 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity443
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Advanced solid tumors

    5 Pharmacology and Biochemistry
    5.1 Mechanism of Action

    Aurora kinases are enzymes that help dividing cells share their materials between two daughter cells. In many people with cancer Aurora kinase malfunctions and normal control of cell division is lost resulting in abnormal growth. CYC116 inhibits Aurora kinase may slow down the growth of cancer cells and lead to their death by apoptosis.