BAY 60-2770 - ≥98% , CAS No.1027642-43-8

CAS: 1027642-43-8 Cat. No.: B648785 Molecular Weight: 623.63 PubChem CID: 23546312

GRADE & PURITY ≥98%

Synonyms

4-({(4-Carboxybutyl)[2-(5-Fluoro-2-{[4'-(Trifluoromethyl)biphenyl-4-Yl]methoxy}phenyl)ethyl]amino}methyl)benzoic Acid | CRQMDXFUKDWARU-UHFFFAOYSA-N | SCHEMBL13009914 | 1DX | 1027642-43-8 | Q27451953 | 4-(((4-Carboxybutyl)(2-(5-fluoro-2-((4'-(trifluorometh

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

BAY 60-2770 is a potent, selective, and orally active soluble guanylyl cyclase (sGC) activator. BAY 60-2770 increases the activity of sGC in a nitric oxide-independent manner. BAY 60-2770 shows antifibrotic effect.

In Vivo

BAY 60-2770 (0.1-0.3 mg/Kg; p.o.) attenuates liver fibrosis in two rat models . BAY 60-2770 (1 mg/kg; p.o.; daily from the 10th to the 12th week) results in amelioration of bladder dysfunction in high-fat obese mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Obese miceDosage: 1 mg/kg Administration: p.o.; daily from the 10th to the 12th week Result: Ameliorates detrusor dysfunction in obese mice.

Form:Solid

Specifications

Synonyms

4-({(4-Carboxybutyl)[2-(5-Fluoro-2-{[4'-(Trifluoromethyl)biphenyl-4-Yl]methoxy}phenyl)ethyl]amino}methyl)benzoic Acid | CRQMDXFUKDWARU-UHFFFAOYSA-N | SCHEMBL13009914 | 1DX | 1027642-43-8 | Q27451953 | 4-(((4-Carboxybutyl)(2-(5-fluoro-2-((4'-(trifluorometh

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

BAY 60-2770 is a potent, selective, and orally active soluble guanylyl cyclase (sGC) activator. BAY 60-2770 increases the activity of sGC in a nitric oxide-independent manner. BAY 60-2770 shows antifibrotic effect.

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CN(CCCCC(=O)O)CCC2=C(C=CC(=C2)F)OCC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O
• IUPAC Name: 4-[[4-carboxybutyl-[2-[5-fluoro-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
• InChIKey: CRQMDXFUKDWARU-UHFFFAOYSA-N
• INCHI: 1S/C35H33F4NO5/c36-31-16-17-32(45-23-25-6-8-26(9-7-25)27-12-14-30(15-13-27)35(37,38)39)29(21-31)18-20-40(19-2-1-3-33(41)42)22-24-4-10-28(11-5-24)34(43)44/h4-17,21H,1-3,18-20,22-23H2,(H,41,42)(H,43,44)
• Isomeric SMILES: C1=CC(=CC=C1CN(CCCCC(=O)O)CCC2=C(C=CC(=C2)F)OCC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O
• Alternate CAS: 1027642-43-8
• PubChem CID: 23546312
• MeSH Entry Terms: 4-(((4-carboxybutyl) (2- (5-fluoro-2-((4'-(trifluoromethyl) biphenyl-4-yl)methoxy)phenyl)ethyl) amino)methyl)benzoic acid;BAY 60-2770
• Molecular Weight: 623.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Trifluoromethylbenzenes Benzoic acids Phenethylamines Phenoxy compounds Phenol ethers Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Phenethylamine - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Amine - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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: DMSO : 16.67 mg/mL (26.73 mM; Need ultrasonic)
• Molecular Weight: 623.600 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 623.229 Da
• Monoisotopic Mass: 623.229 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 895.000
• 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