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

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 No.:
717907-75-0
Catalog Number:
AG00FAG2
Molecular Formula:
C21H20F3N7O3S
Molecular Weight:
507.4888
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$257
- +
10mg
99%
1 week
United States
$307
- +
50mg
99%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG00FAG2
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
IUPAC Name:
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
InChI:
InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
InChI Key:
MZDKLVOWGIOKTN-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F
UNII:
K5BX8ZA7UF
Properties
Complexity:
856  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.13g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
507.492g/mol
Monoisotopic Mass:
507.13g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
The role of focal adhesion kinase catalytic activity on the proliferation and migration of squamous cell carcinoma cells. International journal of cancer 20120715
Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks. Journal of medicinal chemistry 20120614
Inhibition of focal adhesion kinase prevents experimental lung fibrosis and myofibroblast formation. Arthritis and rheumatism 20120501
Inhibition of focal adhesion kinase by PF-562,271 inhibits the growth and metastasis of pancreatic cancer concomitant with altering the tumor microenvironment. Molecular cancer therapeutics 20111101
Clinical importance and potential use of small molecule inhibitors of focal adhesion kinase. Anti-cancer agents in medicinal chemistry 20110901
Transforming growth factor-β-induced epithelial-mesenchymal transition facilitates epidermal growth factor-dependent breast cancer progression. Oncogene 20101209
Bioluminescent imaging study: FAK inhibitor, PF-562,271, preclinical study in PC3M-luc-C6 local implant and metastasis xenograft models. Cancer biology & therapy 20100701
Emerging targets in osteoporosis disease modification. Journal of medicinal chemistry 20100610
Sunitinib and PF-562,271 (FAK/Pyk2 inhibitor) effectively block growth and recovery of human hepatocellular carcinoma in a rat xenograft model. Cancer biology & therapy 20090501
Therapeutic targeting of the focal adhesion complex prevents oncogenic TGF-beta signaling and metastasis. Breast cancer research : BCR 20090101
Dual focal adhesion kinase/Pyk2 inhibitor has positive effects on bone tumors: implications for bone metastases. Cancer 20080515
Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271. Cancer research 20080315
Properties