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Olutasidenib

CAT: 0607-BA7850-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7850-1Size:1 mg
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CAS Number
1887014-12-1
Form
A solid
Molecular Formula
C18H15ClN4O2
Molecular Weight
354.79
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Olutasidenib

Olutasidenib (FT-2102) is a selective and potent isocitrate dehydrogenase-1 (IDH1) inhibitor approved by the FDA in December 2022. It is indicated for the treatment of relapsed or refractory acute myeloid leukemia (AML) in patients with a susceptible IDH1 mutation as determined by an FDA-approved test. IDH1 mutations are common in different types of cancer, such as gliomas, AML, intrahepatic cholangiocarcinoma, chondrosarcoma, and myelodysplastic syndromes (MDS), and they lead to an increase in 2-hydroxyglutarate (2-HG), a metabolite that participates in tumerogenesis. Olutasidenib inhibits the mutated IDH1 specifically, and provides a therapeutic benefit in IDH1-mutated cancers. Other IDH1 inhibitors, such as [ivosidenib], have also been approved for the treatment of relapsed or refractory AML. Olutasidenib is orally bioavailable and capable of penetrating the blood-brain barrier, and is also being evaluated for the treatment of myelodysplastic syndrome (MDS), as well as solid tumors and gliomas (NCT03684811).

CAS Number1887014-12-1
PubChem CID118955396
IUPAC Name5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
Molecular FormulaC18H15ClN4O2
Molecular Weight354.8
XLogP2.5
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity745
SMILES
C[C@@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
InChI
InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKey
NEQYWYXGTJDAKR-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Olutasidenib
CAS: 1887014-12-1
CID: 118955396
Formula: C18H15ClN4O2
MW: 354.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.8
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass354.0883534
Monoisotopic Mass354.0883534
Topological Polar Surface Area85.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity745
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

Alternative Products

CatalogName
T16384-01Olutasidenib
TRC-O299820-100MGEnt-Olutasidenib
TRC-O299811-1MGOlutasidenib-d3

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