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Chemical structure of (S,R)-WT IDH1 Inhibitor 2

GC65883

(S,R)-WT IDH1 Inhibitor 2

Also known as (7S)-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

(S,R)-WT IDH1 Inhibitor 2 (GSK321) is a potent, selective mutant IDH1 inhibitor with IC50 values of 2·9, 3·8, 4·6 and 46 nM for R132G, R132C, R132H and WT IDH1, respectively, and >100-fold selectivity over IDH2· (S,R)-WT IDH1 Inhibitor 2 induces decrease in intracellular 2-HG, abrogation of the myeloid differentiation block and induction of granulocytic differentiation at the level of leukemic blasts and more immature stem-like cells· (S,R)-WT IDH1 Inhibitor 2 can be used for research of acute myeloid leukemia (AML) and other cancers

ChemicalCAS1816272-18-0MW501.55FormulaC28H28FN5O3
CAS number
1816272-18-0
Molecular weight
501.55
Formula
C28H28FN5O3
InChIKey
IVFDDVKCCBDPQZ-ZWKOTPCHSA-N
Catalogue number
GC65883
Brand
GLPBIO
Computed properties PubChem CID 165412569 · 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 165412569), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.