BGC > CAS Search > 1448347-49-6

Molecular Formula: C28H22ClF3N6O3
Molecular Weight: 582.9608896

Molecular Formula: C28H22ClF3N6O3
Molecular Weight: 582.9608896

Description :
Ivosidenib is an oral inhibitor that specifically inhibits a mutated form of IDH1 in the cytoplasm, which blocks the proliferation of tumor cells expressing IDH1.

• Molecular Weight :582.968
• Boiling Point :854.3±65.0 °C at 760 mmHg

Molecular Formula :
C28H22ClF3N6O3
Canonical SMILES :
C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N
InChI :
InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
InChIKey :
WIJZXSAJMHAVGX-DHLKQENFSA-N
Solubility :
Soluble in DMSO.
Appearance :
Solid Powder
Storage : Store in a cool and dry place and at 0 - 4℃ for short term (days to weeks) or -65℃ for long term (months to years).
Synonyms :
AG-120; AG 120; AG120; (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

More details are to be found here

Purity : 98%
Smile code : O=C([C@H](CC1)N(C2=NC=CC(C#N)=C2)C1=O)N([C@@H](C3=CC=CC=C3Cl)C(NC4CC(F)(F)C4)=O)C5=CC(F)=CN=C5
MDL Number : MFCD29036964
MolFormula : C28H22ClF3N6O3
MolWeight : 582.9609
Available in stock : 9.813

More details are to be found here

Smile code:
O=C([C@H](CC1)N(C2=NC=CC(C#N)=C2)C1=O)N([C@@H](C3=CC=CC=C3Cl)C(NC4CC(F)(F)C4)=O)C5=CC(F)=CN=C5
MDL Number:
MFCD29036964
Purity :
98%
Available in stock:
16.208 g

More details are to be found here