Products for Research Use Only
RegisterLogin

Ivosidenib (AG-120)

CAT: 0957-S8206-100mgSize: 100 mgDry Ice: YesHazardous: No
Product image 1
1 / 1
CAT#:0957-S8206-100mgSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1448347-49-6
Target
Dehydrogenase
Applications
Metabolism
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
Molecular Formula
C28H22ClF3N6O3
Additionnal Information
Ivosidenib (AG-120) is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1), with potential antineoplastic activity.
Storage Conditions
2 years -80 in solvent

Chemical Information

Ivosidenib

Ivosidenib is a tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation. It has a role as an EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor and an antineoplastic agent. It is a secondary carboxamide, a tertiary carboxamide, a cyanopyridine, an organofluorine compound, a member of pyrrolidin-2-ones and a member of monochlorobenzenes.

CAS Number1448347-49-6
PubChem CID71657455
IUPAC Name(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC28H22ClF3N6O3
Molecular Weight583.0
XLogP3.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1050
SMILES
C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](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
Chemical Structure
2D Structure
2D structure of Ivosidenib
CAS: 1448347-49-6
CID: 71657455
Formula: C28H22ClF3N6O3
MW: 583.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.0
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass582.1394008
Monoisotopic Mass582.1394008
Topological Polar Surface Area119 Ų
Heavy Atom Count41
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
S0718-01AG-120 (racemic)
S0718-5mgAG-120 (racemic)
S0718-25mgAG-120 (racemic)
S3244-25mgH3B-120
S3244-100mgH3B-120
S3244-10mM/1mLH3B-120
S3244-01H3B-120
S3244-5mgH3B-120
S1143-50mgAG-490
S2178-5mgAG-14361

Alternative Products

CatalogName
B1163-5AG-120 (Ivosidenib)
C13265-1gIvosidenib (AG-120)
A15869-50AG-120 (Ivosidenib) 50mg
A15869-100AG-120 (Ivosidenib) 100mg
A15869-2AG-120 (Ivosidenib) 2mg
A14386-1AG-120 (Ivosidenib) racemic 1mg
A14386-100AG-120 (Ivosidenib) racemic 100mg
A14386-50AG-120 (Ivosidenib) racemic 50mg
bs-60318C-01AG-120 (Ivosidenib), IDH1 Inhibitor
A15869-10mM-DAG-120 (Ivosidenib) 10mM * 1mL in DMSO

Popular Products