TC-MCH 7c - ≥97%(HPLC) , CAS No.864756-35-4

CAS: 864756-35-4 Cat. No.: T288362 Molecular Weight: 408.47 PubChem CID: 11654412

GRADE & PURITY ≥97%(HPLC)

Synonyms

4-[(4-Fluorophenyl)methoxy]-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2(1H)-pyridinone | 4-((4-fluorobenzyl)oxy)-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridin-2(1H)-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

TC-MCH 7c, a phenylpyridone derivative, is an orally available, selective and brain-penetrable MCH1R antagonist with an IC50 of 5.6 nM for hMCH1R[1]. TC-MCH 7c has Kis of 3.4 nM and 3.0 nM of human and mouse MCH1R, respectively.

Specifications

Synonyms

4-[(4-Fluorophenyl)methoxy]-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2(1H)-pyridinone | 4-((4-fluorobenzyl)oxy)-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridin-2(1H)-one

Specifications & Purity

≥97%(HPLC)

Biochemical and Physiological Mechanisms

Potent, selective melanin-concentrating hormone receptor 1 (MCH1R) antagonist (IC50= 5.6 nM in hMCH1R-expressing CHO cells). Displays selectivity for MCH1R over MCH2R (IC50= > 10μM). Decreases body weight in a mouse model of diet-induced obesity. Brain pe

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.

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504766624
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766624
• Canonical Smiles: C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F
• IUPAC Name: 4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
• InChIKey: ANCFKYJMXNMYNZ-UHFFFAOYSA-N
• INCHI: 1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
• Isomeric SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F
• PubChem CID: 11654412
• Molecular Weight: 408.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Pyridinones Fluorobenzenes Dihydropyridines Alkyl aryl ethers N-alkylpyrrolidines Aryl fluorides Vinylogous esters Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenol ether - Phenoxy compound - Alkyl aryl ether - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - N-alkylpyrrolidine - Aryl halide - Pyridine - Monocyclic benzene moiety - Aryl fluoride - Hydropyridine - Vinylogous ester - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Associated Targets(Human)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

MCHR1 Tchem Melanin-concentrating hormone receptor 1 (4 Activities)

Discover Target: MCHR1

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

HRH3 Tclin Histamine H3 receptor (10389 Activities)

Discover Target: HRH3

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

MCHR1 Tchem Melanin-concentrating hormone receptor 1 (5587 Activities)

Discover Target: MCHR1

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Brain (1 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:1eq. HCl, Max Conc. mg/mL: 40.85, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 20.42, Max Conc. mM: 50
• Molecular Weight: 408.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 408.185 Da
• Monoisotopic Mass: 408.185 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 616.000
• 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