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Pf-477736

CAS No.:
952021-60-2
Catalog Number:
AG01DBNY
Molecular Formula:
C22H25N7O2
Molecular Weight:
419.4796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$165
- +
10mg
≥98%
1 week
United States
$262
- +
25mg
≥98%
1 week
United States
$518
- +
50mg
≥98%
1 week
United States
$923
- +
Product Description
Catalog Number:
AG01DBNY
Chemical Name:
Pf-477736
CAS Number:
952021-60-2
Molecular Formula:
C22H25N7O2
Molecular Weight:
419.4796
MDL Number:
MFCD16038847
IUPAC Name:
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]acetamide
InChI:
InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1
InChI Key:
NDEXUOWTGYUVGA-LJQANCHMSA-N
SMILES:
Cn1ncc(c1)c1[nH]c2c3c1cn[nH]c(=O)c3cc(c2)NC(=O)[C@@H](C1CCCCC1)N
UNII:
XO23PGZ0SM
Properties
Complexity:
725  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
419.207g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
419.489g/mol
Monoisotopic Mass:
419.207g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Checkpoint kinase 1 is activated and promotes cell survival after exposure to sulphur mustard. Toxicology letters 20150122
Response of subtype-specific human breast cancer-derived cells to poly(ADP-ribose) polymerase and checkpoint kinase 1 inhibition. Cancer science 20111001
Properties