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Key Documents

SML3438

Sigma-Aldrich

NDI-091143

≥90% (HPLC)

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C20H14ClF2NO5S
CAS Number:
Molecular Weight:
453.84
MDL number:
UNSPSC Code:
51111800
NACRES:
NA.77

Quality Level

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

Biochem/physiol Actions

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).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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