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Sapitinib

CAT: 0127-BUP05871-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05871-02Size:5 mg
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CAS Number
848942-61-0
Synonyms
AZD-8931
Purity
=98%
Smiles
CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

Chemical Information

Sapitinib

Sapitinib is a member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an epidermal growth factor receptor antagonist. It is a member of piperidines, an aromatic ether, a member of quinazolines, a secondary amino compound, a tertiary amino compound, a member of monochlorobenzenes and a member of monofluorobenzenes.

CAS Number848942-61-0
PubChem CID11488320
IUPAC Name2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.9
XLogP4
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity641
SMILES
CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC
InChI
InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKey
DFJSJLGUIXFDJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sapitinib
CAS: 848942-61-0
CID: 11488320
Formula: C23H25ClFN5O3
MW: 473.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.9
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass473.1629955
Monoisotopic Mass473.1629955
Topological Polar Surface Area88.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-13050-01Sapitinib
C08346-10mM/1mLSapitinib (AZD8931)
A8375-10AZD8931 (Sapitinib)
HY-13050ASapitinib (fumarate)
A10116-2AZD8931 (Sapitinib) 2mg

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