Solabegron

Base Information

Chemical Name:Solabegron
CAS No.:252920-94-8
Molecular Formula:C₂₃H₂₃ClN₂O₃
Molecular Weight:410.9
Hs Code.:
UNII:55P6YH9O6N
DSSTox Substance ID:DTXSID50179932
Nikkaji Number:J2.587.520F
Wikipedia:Solabegron
Wikidata:Q76414705
NCI Thesaurus Code:C96754
Pharos Ligand ID:TYZ7W4X9FB1Q
Metabolomics Workbench ID:149663
ChEMBL ID:CHEMBL208427
Mol file:252920-94-8.mol

Synonyms:(R)-3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid;3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid;GW 427353;GW-427353;GW427353;solabegron;solabegron hydrochloride

Suppliers and Price of Solabegron

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
Solabegron
003
$ 3200.00

ChemScene
Solabegron 99.91%
10mg
$ 750.00

ChemScene
Solabegron 99.91%
5mg
$ 450.00

ChemScene
Solabegron 99.91%
1mg
$ 150.00

Total 11 raw suppliers

Chemical Property of Solabegron

Chemical Property:

Boiling Point:672.4±55.0 °C(Predicted)
PKA:4.14±0.10(Predicted)
PSA：81.59000
Density:1.300±0.06 g/cm3(Predicted)
LogP:4.90420
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:410.1397203
Heavy Atom Count:29
Complexity:507

Purity/Quality:

97% ^*data from raw suppliers

Solabegron ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNCC(C3=CC(=CC=C3)Cl)O
Isomeric SMILES:C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O
Recent ClinicalTrials:Dose Ranging Study Of Solabegron Versus Placebo In Female Patients With Overactive Bladder Symptoms
Recent EU Clinical Trials:A Randomized, Double-Blind, Placebo-Controlled, Crossover, Phase IIa Study to Evaluate Efficacy and Safety of the beta3-Adrenergic Receptor Agonist Solabegron in Subjects with Irritable Bowel Syndrome
Uses Antidiabetic (β3 adrenoreceptor agonist). Solabegron functions as a synthetic drug currently utilized in the treatment of urinary incontinence in men that are in phase III and onwards.

Technology Process of Solabegron

There total 15 articles about Solabegron which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.8%

: solabegron sodium salt

: 252920-94-8
Solabegron

Guidance literature:: With hydrogenchloride; In water; isopropyl alcohol; at 55 ℃; for 4h;

Reference yield: 49.0%

: methyl (R)-3′-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)[1,1′-biphenyl]-3-carboxylate

: 252920-94-8
Solabegron

Guidance literature:: With lithium hydroxide monohydrate; water; In methanol; at 20 ℃; for 17h;
DOI:10.1021/acs.joc.5b00322

Reference yield:

: 13331-27-6
m-nitrobenzene boronic acid

: 252920-94-8
Solabegron

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / Pd(Ph₃P)4; Na₂CO₃ / dioxane / 85 °C

2: 89 percent / H₂ / Pd/C / tetrahydrofuran

3: 65 percent / AcOH; NaBH(OAc)3 / CH₂Cl₂

4: 92 percent / HCl / dioxane / 3 h

5: 2.22 g / aq. LiOH / methanol / 16 h

With hydrogenchloride; lithium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; sodium tris(acetoxy)borohydride; sodium carbonate; acetic acid; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; 1: Suzuki cross-coupling;
DOI:10.1021/jm0509445