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Enasidenib

CAT: 0013-GTR19173856-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173856-01Size:5 mg
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Description
Enasidenib (AG-221) is a small molecule inhibitor that selectively targets mutant IDH2 enzymes. It is used in research to study its effects in models of acute myeloid leukemia (AML), both in vitro and in vivo, for its potential to induce cellular differentiation.
CAS Number
1446502-11-9
Product Name Alternative
AG-221
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
>98%
Bioactivity
Mutant isocitrate dehydrogenase 2 (IDH2) inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml)
Smiles
CC (C) (O) CNc1nc (Nc2ccnc (c2) C (F) (F) F) nc (n1) -c1cccc (n1) C (F) (F) F
Molecular Formula
C19H17F6N7O
Molecular Weight
473.38
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
2-Methyl-1-[[4-[6 (trifluoromethyl) -2-pyridinyl]-6-[[2- (trifluoromethyl) -4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-propanol

Chemical Information

Enasidenib

Enasidenib is a 1,3,5-triazine which is substituted by (2-hydroxy-2-methylpropyl)nitrilo, 6-(trifluoromethyl)pyridin-2-yl and [2-(trifluoromethyl)pyridin-4-yl]nitrilo groups at positions 2,4 and 6, respectively. It is an isocitrate dehydrogenase-2 (IDH2) inhibitor which has been approved for the treatment of adults with relapsed or refractory acute myeloid leukaemia (AML). It has a role as an EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor and an antineoplastic agent. It is a member of 1,3,5-triazines, a tertiary alcohol, an aromatic amine, an organofluorine compound, an aminopyridine and a secondary amino compound.

CAS Number1446502-11-9
PubChem CID89683805
IUPAC Name2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
Molecular FormulaC19H17F6N7O
Molecular Weight473.4
XLogP3.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity635
SMILES
CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O
InChI
InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)
InChIKey
DYLUUSLLRIQKOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enasidenib
CAS: 1446502-11-9
CID: 89683805
Formula: C19H17F6N7O
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass473.13987716
Monoisotopic Mass473.13987716
Topological Polar Surface Area109 Ų
Heavy Atom Count33
Formal Charge0
Complexity635
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

Alternative Products

CatalogName
TRC-E555360-10MGEnasidenib
MBS5773330Enasidenib mesylate
HY-18690SEnasidenib-d6
CS-EO-02982Enasidenib d6
A15808-50Enasidenib 50mg
A15808-10Enasidenib 10mg
A15808-5Enasidenib 5mg
HY-18690R-01Enasidenib (Standard)
A15808-25Enasidenib 25mg
HY-18690A-01Enasidenib (mesylate)

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