ALB-127158(a) - ≥99% , CAS No.1173154-32-9

CAS: 1173154-32-9 Cat. No.: A648959 Molecular Weight: 404.44 PubChem CID: 44193892

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ALB-127158(a) is a potent and selective melanin concentrating hormone 1 ( MCH 1 ) receptor antagonist.

In Vitro

ALB-127158(a) has high affinity for the MCH 1 receptor (7 nM) with good selectivity over a range of other G-protein coupled receptors (GPCRs), ion channels and transporters, including the MCH 2 receptor. In vitro functional assays confirmed that ALB-127158(a) is a potent and selective MCH 1 receptor antagonist. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In a mouse diet induced obesity (DIO) model, ALB-127158(a) produces a significant sustained decrease in body weight and food intake in the range of 5-15 mg/kg bid. The weight reduction is predominantly due to a decrease in fat content. In high fat diet (HFD) rats, ALB-127158(a) produces significant weight loss and food reduction at doses as low as 1.25 mg/kg po. Doses > 1.25 mg/kg po produces weight loss > 6%, maximal weight loss of about 10% in rats is observed at 10 mg/kg. Following single and multiple oral administration of ALB-127158(a), ALB-127158(a) is rapidly absorbed (median t max attains between 1 and 3 h post dose in lean and overweight/obese subjects) with a trend to decrease over dose suggesting a slower absorption rate of ALB-127158(a) at lower doses. After single doses, ALB-127158(a) has a mean half-life (t 1/2 ) of 18 to 21 h. Slightly longer mean t 1/2 estimates of approximately 26 h are obtained following multiple dosing in overweight/obese subjects; steady-state plasma ALB-127158(a) is attained within 6 to 8 days of dosing . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:MCH 1 receptor

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

ALB-127158(a) is a potent and selective melanin concentrating hormone 1 ( MCH 1 ) 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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN1C2=C(CNCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)F
• IUPAC Name: 4-[(5-fluoropyridin-2-yl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
• InChIKey: VUUUHLIHQHVLLE-UHFFFAOYSA-N
• INCHI: 1S/C23H21FN4O2/c1-27-21-6-8-25-13-20(21)19-5-4-17(10-22(19)27)28-9-7-18(11-23(28)29)30-14-16-3-2-15(24)12-26-16/h2-5,7,9-12,25H,6,8,13-14H2,1H3
• Isomeric SMILES: CN1C2=C(CNCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)F
• PubChem CID: 44193892
• Molecular Weight: 404.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: 3-alkylindoles Pyridinones Alkyl aryl ethers Aralkylamines Dihydropyridines N-methylpyrroles Aryl fluorides Benzenoids Vinylogous esters Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - 3-alkylindole - Indole - Alkyl aryl ether - Dihydropyridine - Pyridinone - Aralkylamine - Aryl fluoride - Aryl halide - Hydropyridine - N-methylpyrrole - Pyridine - Substituted pyrrole - Benzenoid - Vinylogous ester - Heteroaromatic compound - Pyrrole - Lactam - Azacycle - Secondary aliphatic amine - Secondary amine - Ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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: Ethanol : 2 mg/mL (4.95 mM; Need ultrasonic)
• Molecular Weight: 404.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 404.165 Da
• Monoisotopic Mass: 404.165 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 713.000
• 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