2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 2,4-dichlorobenzoate - Moligand™ , Inhibitor of N-acetyltransferase 8 like, CAS No.N609356, Inhibitor of N-acetyltransferase 8 like

CAS: N609356 Cat. No.: N609356

GRADE & PURITY Moligand™

Synonyms

MCULE-2879769428 | compound 5

Storage

Room temperature

Specifications

Synonyms

MCULE-2879769428 | compound 5

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of N-acetyltransferase 8 like

Names and Identifiers

• Canonical Smiles: Clc1ccc(c(c1)Cl)C(=O)OCCSc1ccc(c2c1non2)N(=O)=O
• InChIKey: HMEXVJMBPXPLKN-UHFFFAOYSA-N
• INCHI: 1S/C15H9Cl2N3O5S/c16-8-1-2-9(10(17)7-8)15(21)24-5-6-26-12-4-3-11(20(22)23)13-14(12)19-25-18-13/h1-4,7H,5-6H2
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
• Reaxy-Rn: 20880253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20880253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoxadiazoles Thiophenol ethers Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Alkylarylthioethers Aryl chlorides Vinylogous halides Furazans Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Organooxygen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoxadiazole - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Furazan - Azole - Heteroaromatic compound - Oxadiazole - Vinylogous halide - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

NAT8L Tbio N-acetylaspartate synthetase (0 Activities)

Discover Target: NAT8L

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Helicobacter pylori (3113 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action