SML3438

NDI-091143

≥90% (HPLC)

• Sinónimos: 3-Chloro-5-[[(4,6-difluoro[1,1′-biphenyl]-3-yl)amino]sulfonyl]-4-hydroxy-benzoic acid, methyl ester, Methyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl) sulfamoyl]-4-hydroxybenzoate, NDI 091143, NDI091143
• Fórmula empírica (notación de Hill): C₂₀H₁₄ClF₂NO₅S
• Número de CAS: 2375840-87-0
• Peso molecular: 453.84
• MDL number: MFCD32644582
• UNSPSC Code: 51111800
• NACRES: NA.77

Propiedades

• Quality Level: 100
• assay: ≥90% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: Fc1c(cc(c(c1)F)c3ccccc3)N[S](=O)(=O)c2c(c(cc(c2)C(=O)OC)Cl)O
• InChI: 1S/C20H14ClF2NO5S/c1-29-20(26)12-7-14(21)19(25)18(8-12)30(27,28)24-17-9-13(15(22)10-16(17)23)11-5-3-2-4-6-11/h2-10,24-25H,1H3
• InChI key: YSTSHUWHIDBZAK-UHFFFAOYSA-N

Descripción

Biochem/physiol Actions

Highly potent, allosteric ATP-citrate lyase inhibitor.

NDI-091143 is a highly potent, allosteric ATP-citrate lyase inhibitor (human ACLY IC50 = 4.8 nM by coupled enzyme assay with 85 μM citrate; IC50 = 2.1 nM by ADP-Glo assay) that indirectly disrupts citrate binding (Ki = 7 nM) by targeting an adjacent hydrophobic site (kon = 1.02 x 10^6/M/s, koff = 0.0019/s).

Información de seguridad

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable