SML3438
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
UNSPSC Code:
51111800
NACRES:
NA.77
MDL number:
Assay:
≥90% (HPLC)
Form:
powder
Quality Segment
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
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).
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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