An inhibitor of mutant IDH1
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Mutant IDH1-IN-1

Item No. 18394

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-1H-benzimidazole-1-acetamide
CAS Number
1355326-21-4
Molecular Formula
C30H31FN4O2
Formula Weight
498.6
Purity
≥98%
Formulation (Request formulation change)
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 20 mg/mlEthanol: 10 mg/ml
λmax
247, 274, 282 nm
SMILES
FC1=CC(N(C(CN2C=NC3=C2C=CC=C3)=O)C(C4=C(C)C=CC=C4)C(NC5CCCCC5)=O)=CC=C1
InChi Code
InChI=1S/C30H31FN4O2/c1-21-10-5-6-15-25(21)29(30(37)33-23-12-3-2-4-13-23)35(24-14-9-11-22(31)18-24)28(36)19-34-20-32-26-16-7-8-17-27(26)34/h5-11,14-18,20,23,29H,2-4,12-13,19H2,1H3,(H,33,37)
InChi Key
DXYIOARJXVTYJW-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

    $50

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    5 mg

    $198

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    10 mg

    $297

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    50 mg

    $990

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    Product Description

    Mutant IDH1-IN-1 is a selective inhibitor of the cancer-associated enzyme mutant isocitrate dehydrogenase 1 (IDH1; Item No. 14131) with IC50 values of 42, 4, and 80 nM for homozygous R132H and R132C mutant and heterozygous R132H wild-type enzymes, respectively, for converting α-ketoglutarate (α-KG) to 2-hydroxyglutaric acid (2-HG).1 It is selective for IDH1 mutant conversion of α-KG to 2-HG over homozygous wild-type enzyme conversion of isocitrate to α-KG (IC50 = 1,998 nM) and over IDH2 (IC50s = >10,000 nM). Mutant IDH1-IN-1 inhibits 2-HG production in vitro (IC50 = 81.5 nM in HEK293 cells expressing IDH1R132H). It allosterically binds to mutant IDH1 in a magnesium-dependent manner.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Deng, G., Shen, J., Yin, M., et al. Selective inhibition of mutant isocitrate dehydrogenase 1 (IDH1) via disruption of a metal binding network by an allosteric small molecule. The Journal of Biological Chemisty 290(2), 762-764 (2015).