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Apatinib HC

CAT: 0013-GTR19208178-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208178-01Size:25 mg
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Description
Apatinib (Rivoceranib) is an orally active small-molecule tyrosine kinase inhibitor that selectively targets VEGFR-2, inhibiting angiogenesis and tumor growth. It is widely used in preclinical research, including in vitro cell proliferation assays and in vivo xenograft models, for studying solid tumors like gastric cancer.
CAS Number
1218779-89-5
Field of Research
Pharmacology & Drug Discovery
Smiles
Cl.O=C (Nc1ccc (cc1) C1 (CCCC1) C#N) c1cccnc1NCc1ccncc1
Molecular Formula
C24H24ClN5O
Molecular Weight
433.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-(1-Cyanocyclopentyl)phenyl]-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide hydrogen chloride (1:1)
CAS Number1218779-89-5
PubChem CID45136888
IUPAC NameN-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
Molecular FormulaC24H24ClN5O
Molecular Weight433.9
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity608
SMILES
C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4.Cl
InChI
InChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H
InChIKey
YJFMYZMORFXPKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(1-Cyanocyclopentyl)phenyl]-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide hydrogen chloride (1:1)
CAS: 1218779-89-5
CID: 45136888
Formula: C24H24ClN5O
MW: 433.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass433.1669381
Monoisotopic Mass433.1669381
Topological Polar Surface Area90.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity608
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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