A-908292 - Moligand™ , Inhibitor of Acetyl-CoA carboxylase 2, CAS No.A607311, Inhibitor of Acetyl-CoA carboxylase 2

CAS: A607311 Cat. No.: A607311 PubChem CID: 11681998

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Acetyl-CoA carboxylase 2

Names and Identifiers

• Canonical Smiles: COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C
• IUPAC Name: methyl N-[(2S)-4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]carbamate
• InChIKey: OLMPAYQFDVALIH-ZDUSSCGKSA-N
• INCHI: 1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1
• Isomeric SMILES: C[C@@H](C#CC1=CN=C(S1)OC2=CC=C(C=C2)OC(C)C)NC(=O)OC
• PubChem CID: 11681998

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers 2,5-disubstituted thiazoles Methylcarbamates Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenoxy compound - Phenol ether - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Methylcarbamate - Azole - Heteroaromatic compound - Carbamic acid ester - Thiazole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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)

ACACB Tchem Acetyl-CoA carboxylase 2 (2 Activities)

Discover Target: ACACB

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

ACACA Tchem Acetyl-CoA carboxylase 1 (794 Activities)

Discover Target: ACACA

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

ACACB Tchem Acetyl-CoA carboxylase 2 (3474 Activities)

Discover Target: ACACB

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

Mechanisms of Action