SML3618

KI-696

≥98% (HPLC)

• Sinonimo/i: (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
• Formula empirica (notazione di Hill): C₂₈H₃₀N₄O₆S
• Numero CAS: 1799974-70-1
• Peso molecolare: 550.63
• Numero MDL: MFCD31630709
• Codice UNSPSC: 12352200
• NACRES: NA.77

Proprietà

• Livello qualitativo: 100
• Saggio: ≥98% (HPLC)
• Stato: powder
• Colore: white to beige
• Solubilità: DMSO: 2 mg/mL, clear
• Temperatura di conservazione: 2-8°C
• Stringa SMILE: [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: ZDNGJXBUEQNFBQ-GCJKJVERSA-N

Descrizione

Azioni biochim/fisiol

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.

Informazioni sulla sicurezza

• Codice della classe di stoccaggio: 11 - Combustible Solids
• Classe di pericolosità dell'acqua (WGK): WGK 3
• Punto d’infiammabilità (°F): Not applicable
• Punto d’infiammabilità (°C): Not applicable