KI-696
- Product Name
- KI-696
- CAS No.
- 1799974-70-1
- Chemical Name
- KI-696
- Synonyms
- KI-696;KI-696,KI696;CAS:1799974-70-1;KI696, 10 mM in DMSO;(3S)-3-(7-methoxy-1-methylbenzotriazol-5-yl)-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid;1H-Benzotriazole-5-propanoic acid, β-[3-[[(4R)-3,4-dihydro-4-methyl-1,1-dioxido-2H-5,1,2-benzoxathiazepin-2-yl]methyl]-4-methylphenyl]-7-methoxy-1-methyl-, (βS)-;(S)-3-(7-Methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
- CBNumber
- CB53355315
- Molecular Formula
- C28H30N4O6S
- Formula Weight
- 550.63
- MOL File
- 1799974-70-1.mol
KI-696 Property
- Boiling point:
- 760.5±70.0 °C(Predicted)
- Density
- 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- solubility
- DMSO : 125 mg/mL (227.01 mM)
- form
- Solid
- pka
- 4.28±0.10(Predicted)
- color
- White to off-white
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- CS-0020903
- Product name
- KI696
- Purity
- 99.72%
- Packaging
- 1mg
- Price
- $190
- Updated
- 2021/12/16
- Product number
- CS-0020903
- Product name
- KI696
- Purity
- 99.72%
- Packaging
- 5mg
- Price
- $590
- Updated
- 2021/12/16
- Product number
- CS-0020903
- Product name
- KI696
- Purity
- 99.72%
- Packaging
- 10mg
- Price
- $990
- Updated
- 2021/12/16
- Product number
- CS-0020903
- Product name
- KI696
- Purity
- 99.72%
- Packaging
- 25mg
- Price
- $1990
- Updated
- 2021/12/16
- Product number
- CS-0020903
- Product name
- KI696
- Purity
- 99.72%
- Packaging
- 50mg
- Price
- $3500
- Updated
- 2021/12/16
KI-696 Chemical Properties,Usage,Production
Uses
KI696 is a high affinity probe that disrupts the Keap1/NRF2 interaction. KI696 is a potent and selective inhibitor of the KEAP1/NRF2 interaction[1].
Biological Activity
KI-696 is a non-cytotoxic (10 mM; BEAS-2B cells), Kelch domain-targeing (Kd ~1.3 nM) KEAP1 selective inhibitor th at effectively upregulates nuclear NRF2 level in NHBE cells (%increase/[KI-696] = 100%/10 nM and 127%/100 nM; 6 hr) and NRF2 target genes transcription by blocking KEAP1-mediated NRF2 downregulation. KI-696 (5-50 mmol/kg i.v.) upregulates NRF2 target genes transcription in r at lungs in vivo, as well as alleviate ozone-induced pulmonary inflammation and GSH depletion. KI-696 inhibits OATP1B1, BSEP, and PDE3A only at much higher concentrations (IC50 = 2.5, 4.0, 10 mM, respectively) and exhibits little or no potency toward a panel of 46 channels, enzymes, and receptors.
in vivo
KI696 induces the expression of each of the Nqo1, Ho-1, Txnrd1, Srxn1, Gsta3, Gclc genes in a dose-dependent manner, with maximum increases over vehicle controls of 37-(Nqo1), 17-(Ho-1), 9-(Txnrd1), 28-(Srxn1), 15-(Gsta3) and 13-fold (Gclc) occurring at the 50 μmol/kg dose. EC50 values are 44.0, 25.7, 42.6, 33.8, 28.4, and 44.1 μmol/kg, respectively, giving an average EC50 value of 36.4±3.4 μmol/kg. KI696 attenuates ozone-Induced pulmonary inflammation. KI696 restores ozone-induced depletion of lung GSH levels. KI696 is administered to rats at 10, 35 and 50 μmol/kg by IV infusion, resulting in steady state compound concentrations in the blood of 407±44 nM, 946±50 nM and 1437±186 nM, respectively, over the 6 hour infusion period. Exposure to ozone 24 hours post-dose produces a significant depletion in lung levels of the anti-oxidant molecule, GSH, which is restored by KI696 in a dose-dependent manner[1].
References
[1] Davies TG, 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. 2016 Apr 28;59(8):3991-4006. DOI:10.1021/acs.jmedchem.6b00228
KI-696 Preparation Products And Raw materials
Raw materials
Preparation Products
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