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CP-547632 (TFA)

CAT: 0804-HY-13302C-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13302C-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP-547632 TFA is an orally active, ATP-competitive and potent VEGFR-2 and FGF kinases inhibitor with IC50s of 11 nM and 9 nM, respectively. CP-547632 TFA is selective for VEGFR2 and bFGF over EGFR, PDGFRβ, and related tyrosine kinases (TKs) . CP-547632 TFA has antitumor efficacy[1].
CAS Number
2805804-54-8
UNSPSC
12352005
Target
FGFR; VEGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cp-547632-tfa.html
Concentration
10mM
Purity
99.42
Solubility
DMSO : 150 mg/mL (ultrasonic)
Smiles
FC(F)(C(O)=O)F.O=C(NC1=C(C(N)=O)C(OCC2=C(F)C=C(Br)C=C2F)=NS1)NCCCCN3CCCC3
Molecular Formula
C22H25BrF5N5O5S
Molecular Weight
646.43
References & Citations
[1]Beebe JS, et al. Pharmacological characterization of CP-547,632, a novel vascular endothelial growth factor receptor-2 tyrosine kinase inhibitor for cancer therapy. Cancer Res. 2003 Nov 1;63 (21) :7301-9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
FGFR; VEGFR2/KDR/Flk-1

Chemical Information

CP-547632 (Tfa)
CAS Number2805804-54-8
PubChem CID155858278
IUPAC Name3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC22H25BrF5N5O5S
Molecular Weight646.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity705
SMILES
C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C20H24BrF2N5O3S.C2HF3O2/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;3-2(4,5)1(6)7/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30);(H,6,7)
InChIKey
WIHDHJQGGVAEDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CP-547632 (Tfa)
CAS: 2805804-54-8
CID: 155858278
Formula: C22H25BrF5N5O5S
MW: 646.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight646.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass645.06799
Monoisotopic Mass645.06799
Topological Polar Surface Area175 Ų
Heavy Atom Count39
Formal Charge0
Complexity705
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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