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BLU 285

CAT: 0926-BB166456-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BB166456-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1703793-34-3
Synonyms
Avapritinib
MDL Number
MFCD31544325
Smiles
C[C@] (C1=CC=C (C=C1) F) (C2=CN=C (N=C2) N3CCN (CC3) C4=NC=NN5C4=CC (=C5) C6=CN (N=C6) C) N
Molecular Formula
C26H27FN10
Molecular Weight
498.56 g/mol
Controlled
No

Chemical Information

Avapritinib

Avapritinib, or BLU-285, is a selective tyrosine kinase inhibitor of KIT and platelet derived growth factor receptor alpha indicated for the treatment of unresectable, metastatic gastrointestinal stromal tumors and advanced systemic mastocytosis. It is one of the first medications available for the treatment of multidrug resistant cancers. Avapritinib shares a similar mechanism with [ripretinib]. Avapritinib was granted FDA approval on 9 January 2020 and EMA approval on 24 September 2020.

CAS Number1703793-34-3
PubChem CID118023034
IUPAC Name(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
Molecular FormulaC26H27FN10
Molecular Weight498.6
XLogP1.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity752
SMILES
C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N
InChI
InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1
InChIKey
DWYRIWUZIJHQKQ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of Avapritinib
CAS: 1703793-34-3
CID: 118023034
Formula: C26H27FN10
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass498.24041907
Monoisotopic Mass498.24041907
Topological Polar Surface Area106 Ų
Heavy Atom Count37
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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