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Amuvatinib (MP-470)

CAT: 0957-S1244-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S1244-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
850879-09-3
Synonyms
HPK 56
Target
C-Kit
Applications
Protein Tyrosine Kinase
Smiles
C1CN (CCN1C2=NC=NC3=C2OC4=CC=CC=C43) C (=S) NCC5=CC6=C (C=C5) OCO6
Molecular Formula
C23H21N5O3S
Additionnal Information
Amuvatinib (MP-470, HPK 56) is a potent and multi-targeted inhibitor of c-Kit, PDGFRα and Flt3 with IC50 of 10 nM, 40 nM and 81 nM, respectively. Amuvatinib suppresses c-MET and c-RET. Amuvatinib is also active as a DNA repair protein Rad51 inhibitor with antineoplastic activity. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Amuvatinib

N-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzofuro[3,2-d]pyrimidinyl)-1-piperazinecarbothioamide is a N-arylpiperazine.

CAS Number850879-09-3
PubChem CID11282283
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide
Molecular FormulaC23H21N5O3S
Molecular Weight447.5
XLogP3.5
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity678
SMILES
C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)
InChIKey
FOFDIMHVKGYHRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amuvatinib
CAS: 850879-09-3
CID: 11282283
Formula: C23H21N5O3S
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass447.13651072
Monoisotopic Mass447.13651072
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity678
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