Name: Name:N-[3-[[[2-[(2,3-Dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-n-methyl-methanesulfonamide
Brand: AABLOCKS
SKU: AA00FADA
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00FADA

Chemical Name: N-[3-[[[2-[(2,3-Dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-n-methyl-methanesulfonamide

CAS Number: 717907-75-0

Molecular Formula: C21H20F3N7O3S

Molecular Weight: 507.4888

MDL Number: MFCD16038299

SMILES: O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F

Properties

Complexity: 856

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 35

Hydrogen Bond Acceptor Count: 12

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 7

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2

Downstream Synthesis Route

717907-75-0

75-75-2

939791-39-6

[1]CurrentPatentAssignee:VERASTEMINC;PFIZERINC-US2011/33441,2011,A1Locationinpatent:Page/Pagecolumn9

717907-76-1

1073159-75-7

717907-75-0

[1]CurrentPatentAssignee:VERASTEMINC;PFIZERINC-US2011/33441,2011,A1Locationinpatent:Page/Pagecolumn8

717907-75-0

939791-40-9

[1]CurrentPatentAssignee:VERASTEMINC;PFIZERINC-US2011/33441,2011,A1Locationinpatent:Page/Pagecolumn10

717907-75-0

939791-41-0

[1]CurrentPatentAssignee:VERASTEMINC;PFIZERINC-US2011/33441,2011,A1Locationinpatent:Page/Pagecolumn10

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Title: Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.

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Title: Crompton BD, et al. High-throughput tyrosine kinase activity profiling identifies FAK as a candidate therapeutic target in Ewing sarcoma. Cancer Res. 2013 May 1;73(9):2873-83.

Title: Bagi CM, et al. Dual focal adhesion kinase/Pyk2 inhibitor has positive effects on bone tumors: implications for bone metastases. Cancer. 2008 May 15;112(10):2313-21.

717907-75-0 | N-[3-[[[2-[(2,3-Dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-n-methyl-methanesulfonamide