Bevenopran - ≥98% , Mu opioid receptor antagonist, CAS No.676500-67-7, Mu opioid receptor antagonist

CAS: 676500-67-7 Cat. No.: B646620 Molecular Weight: 386.44 PubChem CID: 10452732

GRADE & PURITY ≥98%

Synonyms

DS-10418 | UNII-IC58Q2EHPJ | 5-(2-Methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2-carboxamide | 5-[2-Methoxy-4-[[[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino]methyl]phenoxy]-2-pyrazinecarboxamide | BEVENOPRAN [WHO-DD] | Paeonifl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Bevenopran is a peripheral μ-opioid receptor antagonist

In Vivo

Bevenopran is a peripheral μ-opioid receptor antagonist. Bevenopran is currently under investigation for the treatment of opioid-induced bowel dysfunction (OBD) . Bevenopran tends to increase bowel movement (BM) frequency, especially for 0.1 mg twice daily and 4 mg daily, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:μ-opioid receptor

Specifications

Synonyms

DS-10418 | UNII-IC58Q2EHPJ | 5-(2-Methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2-carboxamide | 5-[2-Methoxy-4-[[[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino]methyl]phenoxy]-2-pyrazinecarboxamide | BEVENOPRAN [WHO-DD] | Paeonifl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Bevenopran is a peripheral μ-opioid receptor antagonist.

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

ANTAGONIST

Mechanism of action

Mu opioid receptor antagonist

Purity

≥98%

Product Properties

• ALogP: 1.1

Names and Identifiers

• Pubchem Sid: 528763570
• Canonical Smiles: COC1=C(C=CC(=C1)CNCCC2CCOCC2)OC3=NC=C(N=C3)C(=O)N
• IUPAC Name: 5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazine-2-carboxamide
• InChIKey: ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
• INCHI: 1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)
• Isomeric SMILES: COC1=C(C=CC(=C1)CNCCC2CCOCC2)OC3=NC=C(N=C3)C(=O)N
• Alternate CAS: 676500-67-7
• PubChem CID: 10452732
• Molecular Weight: 386.44

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: Pyrazinecarboxamides 2-heteroaryl carboxamides Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines Oxanes Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenylmethylamine - 2-heteroaryl carboxamide - Phenol ether - Methoxybenzene - Phenoxy compound - Benzylamine - Anisole - Aralkylamine - Alkyl aryl ether - Pyrazine - Benzenoid - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (323.47 mM; Need ultrasonic)
• Molecular Weight: 386.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 386.195 Da
• Monoisotopic Mass: 386.195 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 475.000
• 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