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
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
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.
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
91.0 |
200.50 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
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.
| 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 |
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.
1: Lin T, Yang WQ, Luo WW, Zhang LL, Mai YQ, Li ZQ, Liu ST, Jiang LJ, Liu PQ, Li
ZM. Disturbance of Fatty Acid Metabolism Promoted Vascular Endothelial Cell
Senescence via Acetyl-CoA-Induced Protein Acetylation Modification. Oxid Med
Cell Longev. 2022 Aug 10;2022:1198607. doi: 10.1155/2022/1198607. PMID:
35993026; PMCID: PMC9385365.
2: Zang Y, Tai L, Hu Y, Wang Y, Sun H, Wen X, Yuan H, Dai L. Discovery of a
Novel Macrocyclic ATP Citrate Lyase Inhibitor. J Chem Inf Model. 2022 Jun
27;62(12):3123-3132. doi: 10.1021/acs.jcim.2c00345. Epub 2022 Jun 9. PMID:
35679529.
3: Yu L, Zhou X, Liu Z, Liu H, Zhang XZ, Luo GF, Shang Z. Carrier-Free Nanoagent
Interfering with Cancer-Associated Fibroblasts' Metabolism to Promote Tumor
Penetration for Boosted Chemotherapy. Nano Lett. 2024 Sep 25;24(38):11976-11984.
doi: 10.1021/acs.nanolett.4c03433. Epub 2024 Sep 13. PMID: 39270053.
4: Zhan Z, Li A, Zhang W, Wu X, He J, Li Z, Li Y, Sun J, Zhang H. ATP-citrate
lyase inhibitor improves ectopic lipid accumulation in the kidney in a db/db
mouse model. Front Endocrinol (Lausanne). 2022 Dec 8;13:914865. doi:
10.3389/fendo.2022.914865. PMID: 36568100; PMCID: PMC9771989.
5: Huang SS, Tsai CH, Kuo CY, Li YS, Cheng SP. ACLY inhibitors induce apoptosis
and potentiate cytotoxic effects of sorafenib in thyroid cancer cells.
Endocrine. 2022 Oct;78(1):85-94. doi: 10.1007/s12020-022-03124-6. Epub 2022 Jun
27. PMID: 35761130.
6: Granchi C. Discovery of Allosteric Inhibition of Human ATP-Citrate Lyase.
Trends Pharmacol Sci. 2019 Jun;40(6):364-366. doi: 10.1016/j.tips.2019.04.008.
Epub 2019 May 6. PMID: 31072639.
7: 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.
