SML3618
KI-696
≥98% (HPLC), KEAP1 Kelch domain inhibitor, powder
别名:
(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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关于此项目
经验公式（希尔记法）:
C28H30N4O6S
化学文摘社编号:
分子量:
550.63
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
产品名称
KI-696, ≥98% (HPLC)
Quality Segment
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
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.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable