MSP-3 - ≥98% , CAS No.1820968-63-5

CAS: 1820968-63-5 Cat. No.: M650235 Molecular Weight: 305.39 EC Number: 110-693-2 PubChem CID: 118472039

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MSP-3 is a potent TRPV1 agonist, with an EC 50 of 0.87 μM. MSP-3 exhibits neuroprotective and antinociceptive effects

Form:Oil

IC50& Target:TRPV1 0.87 μM (EC 50 )

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

MSP-3 is a potent TRPV1 agonist, with an EC 50 of 0.87 μM. MSP-3 exhibits neuroprotective and antinociceptive effects.

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

AGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)CNC(=O)CCCC2=CC=CS2)O
• IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-thiophen-2-ylbutanamide
• InChIKey: HCUVEUVIUAJXRB-UHFFFAOYSA-N
• INCHI: 1S/C16H19NO3S/c1-20-15-10-12(7-8-14(15)18)11-17-16(19)6-2-4-13-5-3-9-21-13/h3,5,7-10,18H,2,4,6,11H2,1H3,(H,17,19)
• Isomeric SMILES: COC1=C(C=CC(=C1)CNC(=O)CCCC2=CC=CS2)O
• PubChem CID: 118472039
• Molecular Weight: 305.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Fatty acyl - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

• Molecular Weight: 305.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 305.109 Da
• Monoisotopic Mass: 305.109 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 327.000
• 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