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Chemical structure of WT IDH1 Inhibitor 2

GC64359

WT IDH1 Inhibitor 2

Also known as (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1R)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

WT IDH1 Inhibitor 2 (Compound 3) is a wild-type isocitrate dehydrogenase 1 (WT IDH1) inhibitor with an IC50 value of 120 nM· WT IDH1 Inhibitor 2 as a mutant R132H IDH1 inhibitor, is an isomer of GSK321 with some wild-type cross reactivity

ChemicalCAS1816272-19-1MW501.55FormulaC28H28FN5O3
CAS number
1816272-19-1
Molecular weight
501.55
Formula
C28H28FN5O3
Solubility
DMSO ： 50 mg/mL
InChIKey
IVFDDVKCCBDPQZ-QZTJIDSGSA-N
Catalogue number
GC64359
Brand
GLPBIO
Computed properties PubChem CID 134693801 · XLogP 3.1 · TPSA 103 Ų · H-bond donors 3
XLogP
3.1
TPSA
103 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

SMILES C[C@@H]1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)[C@@H](C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5

Computed descriptors from PubChem (CID 134693801), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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