ChemicalBook > CAS DataBase List > KI-696

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

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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

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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.

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N-Bromosuccinimide Price

ChemScene

Product number: CS-0020903
Product name: KI696
Purity: 99.72%
Packaging: 1mg
Price: $190
Updated: 2021/12/16

ChemScene

Product number: CS-0020903
Product name: KI696
Purity: 99.72%
Packaging: 5mg
Price: $590
Updated: 2021/12/16

ChemScene

Product number: CS-0020903
Product name: KI696
Purity: 99.72%
Packaging: 10mg
Price: $990
Updated: 2021/12/16

ChemScene

Product number: CS-0020903
Product name: KI696
Purity: 99.72%
Packaging: 25mg
Price: $1990
Updated: 2021/12/16

ChemScene

Product number: CS-0020903
Product name: KI696
Purity: 99.72%
Packaging: 50mg
Price: $3500
Updated: 2021/12/16

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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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1799974-70-1, KI-696Related Search:

KI-696

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)-

KI-696,KI696

(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

KI696, 10 mM in DMSO

CAS:1799974-70-1

(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

1799974-70-1