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Sapitinib

CAT: 0127-BUP05871-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05871-06Size:100 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
Loading 3D structure...
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)
MBS384307-01AZD8931 (Sapitinib)
HY-13050ASapitinib (fumarate)
A10116-2AZD8931 (Sapitinib) 2mg

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