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Solabegron

CAT: 0804-HY-19436-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19436-01Size:5 mg
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Description
Solabegron (GW 427353) is a selective β3-adrenergic receptor agonist, stimulating cAMP accumulation in Chinese hamster ovary cells expressing the human β3-AR, with an EC50 value of 22 nM[1]. Solabegron (GW 427353) is being developed for the treatment of overactive bladder and irritable bowel syndrome[1].
CAS Number
252920-94-8
Product Name Alternative
GW 427353
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Solabegron.html
Purity
99.89
Solubility
DMSO : ≥ 33.33 mg/mL
Smiles
O=C(C1=CC(C2=CC=CC(NCCNC[C@@H](C3=CC=CC(Cl)=C3)O)=C2)=CC=C1)O
Molecular Formula
C23H23ClN2O3
Molecular Weight
410.89
References & Citations
[1]Hicks A, et al. GW427353 (solabegron), a novel, selective beta3-adrenergic receptor agonist, evokes bladder relaxation and increases micturition reflex threshold in the dog. J Pharmacol Exp Ther. 2007 Oct;323 (1) :202-9.|[2]Andersson KE, et al. Selective β3-adrenoceptor agonists for the treatment of overactive bladder. J Urol. 2013 Oct;190 (4) :1173-80.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
β adrenergic receptor

Chemical Information

Solabegron

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 carboxybiphenyl, a secondary alcohol, a substituted aniline, a secondary amino compound and a member of monochlorobenzenes.

CAS Number252920-94-8
PubChem CID9887812
IUPAC Name3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
Molecular FormulaC23H23ClN2O3
Molecular Weight410.9
XLogP1.8
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity507
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
InChIKey
LLDXOPKUNJTIRF-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Solabegron
CAS: 252920-94-8
CID: 9887812
Formula: C23H23ClN2O3
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight410.9
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass410.1397203
Monoisotopic Mass410.1397203
Topological Polar Surface Area81.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes