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CP-547632 hydrochloride

CAT: 0013-GTR19206165Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206165Size:2 mg
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Description
CP-547632 hydrochloride is an orally active, small molecule inhibitor targeting VEGFR-2 and bFGF receptors with IC50 values of 11 nM and 9 nM, respectively. It demonstrates antitumor activity and is utilized in cancer research for both in vitro kinase assays and in vivo xenograft models to study angiogenesis inhibition.
CAS Number
252003-71-7
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
Cl.NC (=O) c1c (NC (=O) NCCCCN2CCCC2) snc1OCc1c (F) cc (Br) cc1F
Molecular Formula
C20H25BrClF2N5O3S
Molecular Weight
568.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CP-547632 hydrochloride
CAS Number252003-71-7
PubChem CID10370762
IUPAC Name3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide;hydrochloride
Molecular FormulaC20H25BrClF2N5O3S
Molecular Weight568.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity622
SMILES
C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N.Cl
InChI
InChI=1S/C20H24BrF2N5O3S.ClH/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28;/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30);1H
InChIKey
NNPJZJJMQDXYGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CP-547632 hydrochloride
CAS: 252003-71-7
CID: 10370762
Formula: C20H25BrClF2N5O3S
MW: 568.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass567.05181
Monoisotopic Mass567.05181
Topological Polar Surface Area138 Ų
Heavy Atom Count33
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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