A Keap1-Nrf2 protein-protein interaction inhibitor
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KI-696

Item No. 42039

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
ßS-[3-[[(4R)-3,4-dihydro-4-methyl-1,1-dioxido-2H-5,1,2-benzoxathiazepin-2-yl]methyl]-4-methylphenyl]-7-methoxy-1-methyl-1H-benzotriazole-5-propanoic acid
CAS Number
1799974-70-1
Molecular Formula
C28H30N4O6S
Formula Weight
550.6
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMSO: Soluble: ≥10 mg/mlEthanol: Soluble: ≥10 mg/ml
SMILES
COC1=C(N2C)C(N=N2)=CC([C@H](C(C=C3)=CC(CN(C[C@H]4C)[S](=O)(C5=CC=CC=C5O4)=O)=C3C)CC(O)=O)=C1
InChi Code
InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
InChi Key
ZDNGJXBUEQNFBQ-GCJKJVERSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

    $43

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    5 mg

    $172

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    10 mg

    $301

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    25 mg

    $644

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    Product Description

    KI-696 is an inhibitor of the protein-protein interaction between Kelch-like ECH-associated protein 1 (Keap1) and nuclear factor erythroid 2-related factor 2 (Nrf2).1 It binds to the Keap1 Kelch domain (Kd = 1.3 nM) and increases the accumulation of Nrf2 in isolated human bronchial epithelial cells in a concentration-dependent manner. KI-696 increases the expression of the Nrf2 target genes NQO1, GCLM, HMOX1, and TXNRD1 in bronchial epithelial cells isolated from patients with chronic obstructive pulmonary disease (COPD; EC50s = 22, 36, 16, and 27 nM, respectively). In vivo, KI-696 (50 µmol/kg) increases lung expression of Nqo1, Hmox1, and Txnrd1 in rats.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Davies, T.G., Wixted, W.E., Coyle, J.E., et al. Monoacidic inhibitors of the Kelch-like ECH-associated protein 1: Nuclear factor erythroid 2-related factor 2 (KEAP1:NRF2) Protein-protein interaction with high cell potency identified by fragment-based discovery. J. Med. Chem. 59(8), 3991-4006 (2016).