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Dovitinib Lactate Salt

CAT: 0926-SCB73780-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SCB73780-01Size:50 mg
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CAS Number
692737-80-7
MDL Number
MFCD16038905
Smiles
CC (C (=O) O) O.CN1CCN (CC1) C2=CC3=C (C=C2) N=C (N3) C4=C (C5=C (C=CC=C5F) NC4=O) N
Molecular Formula
C24H27FN6O4
Molecular Weight
482.51 g/mol
Controlled
No

Chemical Information

dovitinib lactate anhydrous

Dovitinib Lactate is the orally bioavailable lactate salt of a benzimidazole-quinolinone compound with potential antineoplastic activity. Dovitinib strongly binds to fibroblast growth factor receptor 3 (FGFR3) and inhibits its phosphorylation, which may result in the inhibition of tumor cell proliferation and the induction of tumor cell death. In addition, this agent may inhibit other members of the RTK superfamily, including the vascular endothelial growth factor receptor; fibroblast growth factor receptor 1; platelet-derived growth factor receptor type 3; FMS-like tyrosine kinase 3; stem cell factor receptor (c-KIT); and colony-stimulating factor receptor 1; this may result in an additional reduction in cellular proliferation and angiogenesis, and the induction of tumor cell apoptosis. The activation of FGFR3 is associated with cell proliferation and survival in certain cancer cell types.

CAS Number692737-80-7
PubChem CID135431668
IUPAC Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;2-hydroxypropanoic acid
Molecular FormulaC24H27FN6O4
Molecular Weight482.5
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity737
SMILES
CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
InChI
InChI=1S/C21H21FN6O.C3H6O3/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6)
InChIKey
ZRHDKBOBHHFLBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of dovitinib lactate anhydrous
CAS: 692737-80-7
CID: 135431668
Formula: C24H27FN6O4
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass482.20778153
Monoisotopic Mass482.20778153
Topological Polar Surface Area148 Ų
Heavy Atom Count35
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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