An inhibitor of mutant IDH1
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ML-309 (hydrochloride)

Item No. 21519

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-1H-benzimidazole-1-acetamide, monohydrochloride
CAS Number
1355327-02-4
Molecular Formula
C29H29FN4O2 • HCl
Formula Weight
521.0
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMSO: soluble
SMILES
FC1=CC(N(C(C(NC2CCCC2)=O)C3=C(C)C=CC=C3)C(CN4C=NC5=C4C=CC=C5)=O)=CC=C1.Cl
InChi Code
InChI=1S/C29H29FN4O2.ClH/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33;/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36);1H
InChi Key
HYSMHAMFRFTZMP-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Cayman Chemical
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    Product Description

    ML-309 is an inhibitor of mutant isocitrate dehydrogenase 1 (IDH1).1 It reversibly and selective inhibits IDH1R132H over wild-type IDH1 (IC50s = 96 and 36,500 nM, respectively). ML-309 reduces 2-hydroxyglutarate production in U87 MG glioblastoma cells (EC50 = 55 nM).

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Davis, M., Pragani, R., Popovici-Muller, J., et al. ML309: A potent inhibitor of R132H mutant IDH1 capable of reducing 2-hydroxyglutarate production in U87 MG glioblastoma cells. Probe Reports from the NIH Molecular Libraries Program (2010).