NDI-091143
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 532734

CAS#: 2375840-87-0

Description: NDI-091143 is a novel potent inhibitor of human ATP-citrate lyase, indirectly disrupting citrate binding via an unexpected mechanism of inhibition.


Chemical Structure

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NDI-091143
CAS# 2375840-87-0

Theoretical Analysis

MedKoo Cat#: 532734
Name: NDI-091143
CAS#: 2375840-87-0
Chemical Formula: C20H14ClF2NO5S
Exact Mass: 453.02
Molecular Weight: 453.840
Elemental Analysis: C, 52.93; H, 3.11; Cl, 7.81; F, 8.37; N, 3.09; O, 17.63; S, 7.06

Price and Availability

Size Price Availability Quantity
5mg USD 70 Ready to ship
10mg USD 120 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1250 Ready to ship
500mg USD 1950 Ready to ship
1g USD 2950 2 Weeks
2g USD 5450
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Synonym: NDI-091143; NDI 091143; NDI091143;

IUPAC/Chemical Name: Methyl 3-chloro-5-(N-(4,6-difluoro-[1,1'-biphenyl]-3-yl)sulfamoyl)-4-hydroxybenzoate

InChi Key: YSTSHUWHIDBZAK-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(OC)C1=CC(S(=O)(NC2=CC(C3=CC=CC=C3)=C(F)C=C2F)=O)=C(O)C(Cl)=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target: NDI-091143 is a novel potent inhibitor of human ATP-citrate lyase.
In vitro activity: Thermal shift assays shows that NDI-091143 gives rise to considerable stabilization of both full-length ACLY and the N-terminal segment. The thermal shift data are consistent with limited proteolysis experiments using full-length ACLY, in which NDI-091143 together with Mg-ATP provided the greatest protection against digestion by chymotrypsin.
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 91.0 200.50

Preparing Stock Solutions

The following data is based on the product molecular weight 453.84 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol: 1. Wei J, Leit S, Kuai J, Therrien E, Rafi S, Harwood HJ Jr, DeLaBarre B, Tong L. An allosteric mechanism for potent inhibition of human ATP-citrate lyase. Nature. 2019 Apr;568(7753):566-570. doi: 10.1038/s41586-019-1094-6. Epub 2019 Apr 3. PMID: 30944472.
In vivo protocol:

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