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Pf-03814735

CAS No.:
942487-16-3
Catalog Number:
AG00GU5D
Molecular Formula:
C23H25F3N6O2
Molecular Weight:
474.4788
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$357
- +
50mg
≥95%
1 week
United States
$908
- +
Product Description
Catalog Number:
AG00GU5D
Chemical Name:
Pf-03814735
CAS Number:
942487-16-3
Molecular Formula:
C23H25F3N6O2
Molecular Weight:
474.4788
MDL Number:
MFCD16659065
IUPAC Name:
N-[2-[(1R,8S)-4-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-oxoethyl]acetamide
InChI:
InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1
InChI Key:
RYYNGWLOYLRZLK-RBUKOAKNSA-N
SMILES:
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1c2ccc(c1)Nc1ncc(c(n1)NC1CCC1)C(F)(F)F
UNII:
6V5T4O5758
Properties
Complexity:
778  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
474.199g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
474.488g/mol
Monoisotopic Mass:
474.199g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Phase I, open-label, multicentre, dose-escalation, pharmacokinetic and pharmacodynamic trial of the oral aurora kinase inhibitor PF-03814735 in advanced solid tumours. European journal of cancer (Oxford, England : 1990) 20111001
PF-03814735, an orally bioavailable small molecule aurora kinase inhibitor for cancer therapy. Molecular cancer therapeutics 20100401
Properties