ChemicalBook--->CAS DataBase List--->1820968-63-5

1820968-63-5

1820968-63-5 Structure

1820968-63-5 Structure
IdentificationBack Directory
[Name]

2-Thiophenebutanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
[CAS]

1820968-63-5
[Synonyms]

MSP-3 >=98% (HPLC)
2-Thiophenebutanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
[Molecular Formula]

C16H19NO3S
[MDL Number]

MFCD30187586
[MOL File]

1820968-63-5.mol
[Molecular Weight]

305.39
Chemical PropertiesBack Directory
[Boiling point ]

552.3±50.0 °C(Predicted)
[density ]

1.219±0.06 g/cm3(Predicted)
[storage temp. ]

room temp
[form ]

Oil
[pka]

9.76±0.20(Predicted)
[color ]

Colorless to light yellow
[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)
[InChIKey]

HCUVEUVIUAJXRB-UHFFFAOYSA-N
[SMILES]

O=C(NCC1=CC=C(O)C(OC)=C1)CCCC2=CC=CS2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Description]

MSP3 is a transient receptor potential vanilloid type-1 (TRPV1) channel agonist with antioxidant and neuroprotective activity.
[Uses]

MSP-3 is a potent TRPV1 agonist, with an EC50 of 0.87 μM. MSP-3 exhibits neuroprotective and antinociceptive effects[1].
[IC 50]

TRPV1: 0.87 μM (EC50)
[References]

[1] Aiello F, et, al. Design and Synthesis of New Transient Receptor Potential Vanilloid Type-1 (TRPV1) Channel Modulators: Identification, Molecular Modeling Analysis, and Pharmacological Characterization of the N-(4-Hydroxy-3-methoxybenzyl)-4-(thiophen-2-yl)butanamide, a Small Molecule Endowed with Agonist TRPV1 Activity and Protective Effects against Oxidative Stress. ACS Chem Neurosci. 2016 Jun 15;7(6):737-48. DOI:10.1021/acschemneuro.5b00333
Spectrum DetailBack Directory
[Spectrum Detail]

2-Thiophenebutanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-(1820968-63-5)1HNMR
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