LY377604 - ≥98% , Beta-1 adrenergic receptor antagonist, CAS No.204592-94-9, Beta-1 adrenergic receptor antagonist

CAS: 204592-94-9 Cat. No.: L651296 Molecular Weight: 524.61 PubChem CID: 9849699

GRADE & PURITY ≥98%

Synonyms

LY-377604 | AKOS040741992 | CHEMBL2012522 | OCC6TB3P6K | Q27285574 | DTXSID20174419 | UNII-OCC6TB3P6K | HY-13713 | SCHEMBL2920383 | 6-(4-(2-(((2S)-3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl)amino)-2-methylpropyl)phenoxy)pyridine-3-carboxamide | 204592-94-9 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LY377604 is a human β 3 -adrenergic receptor agonist with an EC 50 of 2.4 nM and also a β 1 - and β 2 - adrenergic receptor antagonist.

In Vitro

LY377604 is a human β 3 -adrenergic receptor agonist with an EC 50 of 2.4 nM and also a β 1 - and β 2 -adrenergic receptor antagonist. LY377604 causes a maximal increase in cyclic adenosine monophosphate (cAMP) levels, but does not stimulate cAMP accumulation in CHO cells transfected with either the human β 1 adrenergic receptor or the human β 2 adrenergic receptor. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Administration of LY377604 to male Long-Evans rats fed a caloric dense diet results in stimulation of lipid utilization. This is observed as a decrease in respiratory quotient and persists for about 4 h before returning to that measured from vehicle-treated rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:EC50: 2.4 nM (human β 3 -adrenergic receptor), β 1 -adrenergic receptor, β 2 -adrenergic receptor

Specifications

Synonyms

LY-377604 | AKOS040741992 | CHEMBL2012522 | OCC6TB3P6K | Q27285574 | DTXSID20174419 | UNII-OCC6TB3P6K | HY-13713 | SCHEMBL2920383 | 6-(4-(2-(((2S)-3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl)amino)-2-methylpropyl)phenoxy)pyridine-3-carboxamide | 204592-94-9 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

LY377604 is a human β 3 -adrenergic receptor agonist with an EC 50 of 2.4 nM and also a β 1 - and β 2 - adrenergic 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

AGONIST

Mechanism of action

Beta-1 adrenergic receptor antagonist

Purity

≥98%

Product Properties

• ALogP: 5

Names and Identifiers

• Canonical Smiles: CC(C)(CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N)NC[C@@H](COC3=CC=CC4=C3C5=CC=CC=C5N4)O
• IUPAC Name: 6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
• InChIKey: RBSGUQYXRDKPAE-QFIPXVFZSA-N
• INCHI: 1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1
• Isomeric SMILES: CC(C)(CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N)NC[C@@H](COC3=CC=CC4=C3C5=CC=CC=C5N4)O
• PubChem CID: 9849699
• Molecular Weight: 524.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Diarylethers Amphetamines and derivatives Indoles Phenylpropanes Nicotinamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Pyrroles 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Primary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Diaryl ether - Amphetamine or derivatives - Indole - Nicotinamide - Phenylpropane - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrrole - Heteroaromatic compound - Primary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side 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

Chemical and Physical Properties

• Molecular Weight: 524.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 524.242 Da
• Monoisotopic Mass: 524.242 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 789.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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