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Orantinib (SU6668)

CAT: 0957-S1470-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S1470-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252916-29-3
Synonyms
TSU-68
Target
PDGFR
Applications
Protein Tyrosine Kinase
Smiles
CC1=C (NC (=C1CCC (=O) O) C) C=C2C3=CC=CC=C3NC2=O
Molecular Formula
C18H18N2O3
Additionnal Information
Orantinib (TSU-68, SU6668) has greatest potency against PDGFR autophosphorylation with Ki of 8 nM in a cell-free assay, but also strongly inhibits Flk-1 and FGFR1 trans-phosphorylation, little activity against IGF-1R, Met, Src, Lck, Zap70, Abl and CDK2; does not inhibit EGFR. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Orantinib

Orantinib has been used in trials studying the treatment of Lung Cancer, Breast Cancer, Kidney Cancer, Gastric Cancer, and Prostate Cancer, among others.

CAS Number252916-29-3
PubChem CID5329099
IUPAC Name3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Molecular FormulaC18H18N2O3
Molecular Weight310.3
XLogP2.2
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity516
SMILES
CC1=C(NC(=C1CCC(=O)O)C)/C=C\2/C3=CC=CC=C3NC2=O
InChI
InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
InChIKey
NHFDRBXTEDBWCZ-ZROIWOOFSA-N
Chemical Structure
2D Structure
2D structure of Orantinib
CAS: 252916-29-3
CID: 5329099
Formula: C18H18N2O3
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass310.13174244
Monoisotopic Mass310.13174244
Topological Polar Surface Area82.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes