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Metabolic Enzyme/Protease
ATP Citrate Lyase
NDI-091143 - 95% , high purity , CAS No.2375840-87-0

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NDI-091143 - 95% , high purity , CAS No.2375840-87-0

COA

Grade & Purity:

≥95%

Cas Number: 2375840-87-0
Molecular Weight: 453.84
PubChem CID: 137796782
PubChem SID: 504773515

In stock

Item Number

N414238

Grouped product items
SKU	Size	Availability	Price
N414238-5mg	5mg	2	$75.90
N414238-25mg	25mg	2	$271.90
N414238-50mg	50mg	2	$489.90
N414238-100mg	100mg	2	$815.90

ATP-citrate lyase Inhibitors

View related series

ATP Citrate Lyase (14) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	Benzoic acid,3-chloro-5-[[(4,6-difluoro[1,1'-biphenyl]-3-yl)amino]sulfonyl]-4-hydroxy-,methyl ester
Specifications & Purity	≥95%
Biochemical and Physiological Mechanisms	NDI-091143 is a potent inhibitor of human ATP-citrate lyase(ACLY) with a Ki of 7.0 nM and an IC50 of 2.1 nM in the ADP-Glo assay.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information NDI-091143 NDI-091143 is a potent inhibitor of human ATP-citrate lyase(ACLY) with a Ki of 7.0 nM and an IC50 of 2.1 nM in the ADP-Glo assay. Targets ATP-citrate lyase (Cell-free assay) 7.0 nM(Ki)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	p-Hydroxybenzoic acid alkyl esters Sulfanilides Benzenesulfonamides 3-halobenzoic acids and derivatives Benzenesulfonyl compounds O-chlorophenols Benzoyl derivatives Fluorobenzenes Chlorobenzenes Organosulfonamides Aryl fluorides Aryl chlorides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Sulfanilide - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - 2-chlorophenol - 2-halophenol - Benzoyl - Phenol - Halobenzene - Fluorobenzene - Chlorobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Aryl chloride - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	4.524
hba_count	4
HBD Count	2
Rotatable Bond	6

Names and Identifiers

Pubchem Sid	504773515
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773515
IUPAC Name	methyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
INCHI	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
InChIKey	YSTSHUWHIDBZAK-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C(C(=C1)Cl)O)S(=O)(=O)NC2=C(C=C(C(=C2)C3=CC=CC=C3)F)F
Molecular Weight	453.84
Reaxy-Rn	35169455
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35169455&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
K2212326	Certificate of Analysis	Jun 20, 2022	N414238
K2212585	Certificate of Analysis	Jun 20, 2022	N414238
K2212586	Certificate of Analysis	Jun 20, 2022	N414238
K2212587	Certificate of Analysis	Jun 20, 2022	N414238

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 91 mg/mL (200.51 mM); Ethanol: 3 mg/mL (6.61 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	91
DMSO(mM) Max Solubility	200.511193372114
Water(mg / mL) Max Solubility	＜1
Molecular Weight	453.800 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	453.025 Da
Monoisotopic Mass	453.025 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	700.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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