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SML3618

KI-696

Name: KI-696
Brand: SIGMA

≥98% (HPLC), KEAP1 Kelch domain inhibitor, powder

Synonym(s):

(βS)-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-1H-benzotriazole-5-propanoic acid, (3S)-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, KI 696, KI696

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About This Item

Empirical Formula (Hill Notation):

C₂₈H₃₀N₄O₆S

CAS Number:

1799974-70-1

Molecular Weight:

550.63

UNSPSC Code:

12352200

NACRES:

NA.77

MDL number:

MFCD31630709

Assay:

≥98% (HPLC)

Form:

powder

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Properties

Product Name

KI-696, ≥98% (HPLC)

Quality Segment

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

[S]1(=O)(=O)N(C[C@H](Oc5c1cccc5)C)Cc2c(ccc(c2)[C@H](CC(=O)O)c3cc4nn[n](c4c(c3)OC)C)C

InChI key

ZDNGJXBUEQNFBQ-GCJKJVERSA-N

Description

Biochem/physiol Actions

KI-696 is a non-cytotoxic (10 mM; BEAS-2B cells), Kelch domain-targeing (Kd ~1.3 nM) KEAP1 selective inhibitor that 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 rat 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.

Non-cytotoxic, selective KEAP1 Kelch domain inhibitor that effectively upregulates NRF2 actfivity in cultures and in rats in vivo.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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