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Solabegron

Solabegron structure

CAS No:
252920-94-8
Formula:
C23H23ClN2O3
Chemical Name:
Solabegron
Synonyms:
[1,1′-Biphenyl]-3-carboxylic acid,3′-[[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-;3′-[[2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino][1,1′-biphenyl]-3-carboxylic acid;Solabegron;GW 427353;(-)-(R)-3′-[[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]biphenyl-3-carboxylic acid
Categories:
Organic Chemistry > Amides

Description

Solabegron is a carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome. It has a role as a beta-adrenergic agonist. It is a secondary alcohol, a substituted aniline, a member of monochlorobenzenes, a secondary amino compound and a carboxybiphenyl.|Solabegron (GW-427,353) is a selective β3 adrenoceptor agonist being developed for the treatment of overactive bladder and irritable bowel syndrome.

Solabegron Basic Attributes

Molecular Weight：

410.89332

Exact Mass：

410.89

UNII：

55P6YH9O6N

DSSTox ID：

DTXSID50179932

Characteristics

PSA：

81.6

XLogP3：

1.8

Density：

1.300±0.06 g/cm3(Predicted)

Drug Information

Drug Indication：

Investigated for use/treatment in diabetes mellitus type 2, irritable bowel syndrome (IBS), and urinary incontinence.

MeSH：

Compounds that bind to and activate ADRENERGIC BETA-3 RECEPTORS. (See all compounds classified as Adrenergic beta-3 Receptor Agonists.)

MeSH Entry Terms：

(R)-3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid

Solabegron Use and Manufacturing

Antidiabetic (β3 adrenoreceptor agonist).

Computed Properties

Molecular Weight:410.9
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:410.1397203
Monoisotopic Mass:410.1397203
Topological Polar Surface Area:81.6
Heavy Atom Count:29
Complexity:507
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes