AMTB hydrochloride - ≥98% , CAS No.926023-82-7

CAS: 926023-82-7 Cat. No.: A288448 Summenformel: C₂₃H₂₆N₂O₂S·HCl Molekulargewicht: 430.99

GRADE & PURITY ≥98%

Synonyms

N-(3-Aminopropyl)-2-[(3-methylphenyl)methoxy]-N-(2-thienylmethyl)benzamide hydrochloride | N-(3-aminopropyl)-2-((3-methylbenzyl)oxy)-N-(thiophen-2-ylmethyl)benzamide hydrochloride

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

N-(3-Aminopropyl)-2-[(3-methylphenyl)methoxy]-N-(2-thienylmethyl)benzamide hydrochloride | N-(3-aminopropyl)-2-((3-methylbenzyl)oxy)-N-(thiophen-2-ylmethyl)benzamide hydrochloride

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

TRPM8 channel blocker. Inhibitsicilin-induced TRPM8 channel activation in a rat model (pIC50= 6.23).

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504768039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768039
• Kanonisches Lächeln: CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)N(CCCN)CC3=CC=CS3.Cl
• IUPAC Name: N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-(thiophen-2-ylmethyl)benzamide;hydrochloride
• InChIKey: UDXGBANGPYONOK-UHFFFAOYSA-N
• INCHI: 1S/C23H26N2O2S.ClH/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20;/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3;1H
• Isomere SMILES: CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)N(CCCN)CC3=CC=CS3.Cl
• Molekulargewicht: 430.99
• Reaxy-Rn: 12824274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12824274&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Zugehörige Ziele (menschlich)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (4 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Zugehörige Ziele (nicht menschlich)

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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

Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

Discover Target: Chrm1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 43.1, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 43.1, Max Conc. mM: 100
• Molekulargewicht: 431.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 430.148 Da
• Monoisotopic Mass: 430.148 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 476.000
• 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: 2

XLogP3