Azilsartan Medoxomil - Moligand™, ≥98% , CAS No.863031-21-4

CAS: 863031-21-4 Cat. No.: A304785 Molecular Weight: 568.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate | AR-14 | azilsartan-medoxomil | SCHEMBL683374 | (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-eth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Azilsartan medoxomil(TAK 491) is an orally administered angiotensin II receptor type 1 antagonist with IC50 of 0.62 nM, which used in the treatment of adults with essential hypertension.

Specifications

Synonyms

(5-methyl-2-oxo-2H-1, 3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(5-oxo-4, 5-dihydro-1, 2, 4-oxadiazol-3-yl)-[1, 1'-biphenyl]-4-yl]methyl}-1H-1, 3-benzodiazole-7-carboxylate | AR-14 | azilsartan-medoxomil | SCHEMBL683374 | (5-methyl-2-oxo-1, 3-dioxol-4-yl)methyl 2-eth

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488202857
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202857
• Canonical Smiles: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C
• IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
• InChIKey: QJFSABGVXDWMIW-UHFFFAOYSA-N
• INCHI: 1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)
• Isomeric SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C
• Molecular Weight: 568.55
• Reaxy-Rn: 12326818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12326818&ln=

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: Phenyloxadiazoles Benzimidazoles Alkyl aryl ethers N-substituted imidazoles Carbonic acid diesters Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Phenyl-1,2,4-oxadiazole - Benzimidazole - Alkyl aryl ether - Carbonic acid diester - N-substituted imidazole - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Oxadiazole - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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: aromatic ether - carboxylic ester - dioxolane - cyclic carbonate ester - benzimidazoles - 1,2,4-oxadiazole

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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 114 mg/mL (200.52 mM)
• Molecular Weight: 568.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 568.159 Da
• Monoisotopic Mass: 568.159 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1100.000
• 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