Amenamevir - ≥98% , Helicase primate complex inhibitor, CAS No.841301-32-4, Helicase primate complex inhibitor

CAS: 841301-32-4 Cat. No.: A413296 Molecular Weight: 482.55

GRADE & PURITY ≥98%

Synonyms

ASP2151 | ASP-2151 | s5552 | 2,6-Dichlorophenylboronic acid, AldrichCPR | N-(2,6-DIMETHYLPHENYL)-N-(2-((4-(1,2,4-OXADIAZOL-3-YL)PHENYL)AMINO)-2-OXOETHYL)-1,1-DIOXOTHIANE-4-CARBOXAMIDE | Amenamevir (JAN/INN) | BS-17608 | Amenamevir [INN] | SCHEMBL2238614 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Amenamevir Amenamevir (ASP2151) is a potent helicase-primase inhibitor and a novel class of antiviral agent.

Targets

helicase-primase

In vitro

ASP2151 inhibited the in vitro replication of HSV-1. The mean EC50s of ASP2151 against HSV-1 and HSV-2 were 14 (range, 7.7 to 20) and 30 ng/ml (range, 15 to 58), respectively.

In vivo

In the cutaneously HSV-1-infected mouse model, ASP2151 dose dependently suppressed intradermal HSV-1 growth, with the effect reaching a plateau at a dose of 30 mg/kg of body weight/day.

Specifications

Synonyms

ASP2151 | ASP-2151 | s5552 | 2, 6-Dichlorophenylboronic acid, AldrichCPR | N-(2, 6-DIMETHYLPHENYL)-N-(2-((4-(1, 2, 4-OXADIAZOL-3-YL)PHENYL)AMINO)-2-OXOETHYL)-1, 1-DIOXOTHIANE-4-CARBOXAMIDE | Amenamevir (JAN/INN) | BS-17608 | Amenamevir [INN] | SCHEMBL2238614 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Amenamevir (ASP2151) is a potent helicase-primase inhibitor and a novel class of antiviral agent.

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.

Action Type

INHIBITOR

Mechanism of action

Helicase primate complex inhibitor

Purity

≥98%

Product Properties

• ALogP: 2.24
• hba_count: 7
• HBD Count: 1
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 504766378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766378
• Canonical Smiles: CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4
• IUPAC Name: N-(2,6-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
• InChIKey: MNHNIVNAFBSLLX-UHFFFAOYSA-N
• INCHI: 1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4
• Molecular Weight: 482.55
• Reaxy-Rn: 11327039
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11327039&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Oxadiazoles
        • Level5 1,2,4-oxadiazoles
          • Level6 Phenyloxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: 1,2,4-oxadiazoles
• Direct Parent: Phenyloxadiazoles
• Alternative Parents: Alpha amino acids and derivatives Anilides m-Xylenes N-arylamides Thianes Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-oxadiazole - Alpha-amino acid or derivatives - Anilide - N-arylamide - Xylene - M-xylene - Monocyclic benzene moiety - Benzenoid - Thiane - Heteroaromatic compound - Sulfone - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
• 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)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Ethanol: mg/mL
• Molecular Weight: 482.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 482.162 Da
• Monoisotopic Mass: 482.162 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 800.000
• 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