A-349821 - Moligand™ , Antagonist of H 1 receptor;Antagonist of H 3 receptor, CAS No.A607291, Antagonist of H 1 receptor;Antagonist of H 3 receptor

CAS: A607291 Cat. No.: A607291 PubChem CID: 15608077

GRADE & PURITY Moligand™

Synonyms

A 349821;A-349,821;A349821

Storage

Room temperature

Specifications

Synonyms

A 349821;A-349, 821;A349821

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of H 1 receptor;Antagonist of H 3 receptor

Names and Identifiers

• Canonical Smiles: CO[C@H]([C@H]([C@H](C(OC(=O)C)[2H])OC(=O)C)OC)[C@@H](OC(=O)C)C
• IUPAC Name: (1,5-diacetyloxy-3,4-dimethoxyhexan-2-yl) acetate
• InChIKey: QMLMVXJUHILWSZ-DKKHZOHASA-N
• INCHI: 1S/C14H24O8/c1-8(21-10(3)16)13(18-5)14(19-6)12(22-11(4)17)7-20-9(2)15/h8,12-14H,7H2,1-6H3/t8-,12-,13-,14-/m0/s1/i7D/t7?,8-,12-,13-,14-
• Isomeric SMILES: [2H]C([C@@H]([C@@H]([C@H]([C@H](C)OC(=O)C)OC)OC)OC(=O)C)OC(=O)C
• PubChem CID: 15608077

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Monosaccharides Carboxylic acid esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Monosaccharide - Carboxylic acid ester - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl 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)

HRH3 Tclin Histamine H3 receptor (2 Activities)

Discover Target: HRH3

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

HRH1 Tclin Histamine H1 receptor (1 Activities)

Discover Target: HRH1

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