Enasidenib 25mg

CAT: 0628-A15808-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A15808-25Size:25 mg

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CAS Number

1446502-11-9

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 Number	1446502-11-9
PubChem CID	89683805
IUPAC Name	2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
Molecular Formula	C19H17F6N7O
Molecular Weight	473.4
XLogP	3.5
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	635

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

CAS: 1446502-11-9

CID: 89683805

Formula: C19H17F6N7O

MW: 473.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	473.4
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Exact Mass	473.13987716
Monoisotopic Mass	473.13987716
Topological Polar Surface Area	109 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	635
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-E555360-10MG	Enasidenib
MBS5773330	Enasidenib mesylate
CS-EO-02982	Enasidenib d6
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HY-18690R-01	Enasidenib (Standard)
HY-18690A-01	Enasidenib (mesylate)
B7804-25	AG-221 (Enasidenib)
206438	Enasidenib (AG-221)

Enasidenib 25mg

Chemical Information

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