Talarozole

Base Information

• Chemical Name: Talarozole
• CAS No.: 201410-53-9
• Deprecated CAS: 851811-31-9
• Molecular Formula: C21H23N5S
• Molecular Weight: 377.50600
• Hs Code.: 2934200090
• UNII: XKD9N5CJ6W
• DSSTox Substance ID: DTXSID70942185
• Nikkaji Number: J1.314.803A
• Wikipedia: Talarozole
• Wikidata: Q15410180
• NCI Thesaurus Code: C90792
• Pharos Ligand ID: MTKZCJN3GM2U
• Metabolomics Workbench ID: 153951
• ChEMBL ID: CHEMBL459505
• Mol file: 201410-53-9.mol

Synonyms:N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine;R 115866;R-115866;R115866;Rambazole;talarozole

Chemical Property of Talarozole

Chemical Property:

• Boiling Point: 561.0±60.0 °C(Predicted)
• PKA: 2.70±0.10(Predicted)
• PSA: 83.87000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 5.73000
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• Solubility.: Soluble in DMSO
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 377.16741693
• Heavy Atom Count: 27
• Complexity: 452

Purity/Quality:

99%+, ^*data from raw suppliers

Talarozole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4
• Recent ClinicalTrials: Dose Ranging Study of the Safety and Efficacy of R115966 in Plaque Psoriasis
• Recent EU Clinical Trials: A double-blind, placebo-controlled, randomized, multicenter, parallel-group phase IIa trial to assess the efficacy, safety and tolerability of topical 0.35% R115866 gel applied during 12 consecutive weeks in subjects with mild to moderate facial acne vulgaris
• Uses: Talarozole is a retinoic acid metabolism blocking agent (RAMBA) that can be used for treating dermatalogical diseases such as psoriasis and acne.

Technology Process of Talarozole

There total 1 articles about Talarozole 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:

(+/-)-1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1H-1,2,4-triazole + 2-amino-benzenethiol (137-07-5) → talarozole (201410-53-9,851811-31-9,870093-23-5,201410-66-4,201410-67-5)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

2-amino-benzenethiol

Refernces