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PF-4800567

CAS No.:
1188296-52-7
Catalog Number:
AG008ZG4
Molecular Formula:
C17H18ClN5O2
Molecular Weight:
359.8101
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$168
- +
10mg
98%
1 week
United States
$251
- +
25mg
98%
1 week
United States
$460
- +
50mg
98%
1 week
United States
$737
- +
100mg
98%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG008ZG4
Chemical Name:
PF-4800567
CAS Number:
1188296-52-7
Molecular Formula:
C17H18ClN5O2
Molecular Weight:
359.8101
MDL Number:
MFCD22123245
IUPAC Name:
3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
InChI Key:
AUMDBEHGJRZSOO-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.115g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
359.814g/mol
Monoisotopic Mass:
359.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Discovery of N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors using common-feature pharmacophore model based virtual screening and hit-to-lead optimization. European journal of medicinal chemistry 20121001
IC261 induces cell cycle arrest and apoptosis of human cancer cells via CK1δ/ɛ and Wnt/β-catenin independent inhibition of mitotic spindle formation. Oncogene 20110602
Selective inhibition of casein kinase 1 epsilon minimally alters circadian clock period. The Journal of pharmacology and experimental therapeutics 20090801
Properties