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Crenolanib

CAS No.:
670220-88-9
Catalog Number:
AG00FBZQ
Molecular Formula:
C26H29N5O2
Molecular Weight:
443.5408
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$108
- +
5mg
≥95%
1 week
United States
$172
- +
10mg
≥95%
1 week
United States
$262
- +
50mg
99%
1 week
United States
$487
- +
100mg
99%
1 week
United States
$765
- +
Product Description
Catalog Number:
AG00FBZQ
Chemical Name:
Crenolanib
CAS Number:
670220-88-9
Molecular Formula:
C26H29N5O2
Molecular Weight:
443.5408
MDL Number:
MFCD21609260
IUPAC Name:
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
InChI:
InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
InChI Key:
DYNHJHQFHQTFTP-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)c1cccc2c1nc(cc2)n1cnc2c1ccc(c2)OCC1(C)COC1
UNII:
LQF7I567TQ
Properties
Complexity:
667  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.232g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
443.551g/mol
Monoisotopic Mass:
443.232g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Crenolanib inhibits the drug-resistant PDGFRA D842V mutation associated with imatinib-resistant gastrointestinal stromal tumors. Clinical cancer research : an official journal of the American Association for Cancer Research 20120815
Phase I study of the safety, tolerability, and pharmacokinetics of oral CP-868,596, a highly specific platelet-derived growth factor receptor tyrosine kinase inhibitor in patients with advanced cancers. Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20091101
Properties