(Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one

Base Information

• Chemical Name: (Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one
• CAS No.: 719277-26-6
• Molecular Formula: C₁₃H₁₅NO₂S
• Molecular Weight: 249.334
• European Community (EC) Number: 636-912-6
• UNII: KPC5K8BPP7
• Nikkaji Number: J2.063.813C
• Wikidata: Q27075810
• Pharos Ligand ID: F1WLF6R2D6G7,QSQLFM15HWPS
• ChEMBL ID: CHEMBL408982
• Mol file: 719277-26-6.mol

Synonyms:TG 003;TG-003;TG003;TG003 cpd

Chemical Property of (Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one

Chemical Property:

• Melting Point: 132-132.5?°C
• Boiling Point: 386.0±42.0 °C(Predicted)
• PKA: -1.54±0.20(Predicted)
• PSA: 59.47000
• Density: 1.237±0.06 g/cm3(Predicted)
• LogP: 2.38190
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 33 mg/mL
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

TG 003 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=CC(=C2)OC)SC1=CC(=O)C
• Isomeric SMILES: CCN\1C2=C(C=CC(=C2)OC)S/C1=C\C(=O)C
• Description: TG003 (719277-26-6) is a potent, ATP-competitive inhibitor of Clk-family kinases (IC50‘s = 15, 20 and 200 nM for mClk4, 1 and 2 respectively and >10 μM for mClk3).1?Also inhibits DYRK1A/B (IC50‘s = 24 and 34 nM respectively).2 Suppresses serine/arginine-rich protein phosphorylation, dissociation of nuclear speckles and Clk1/Sty-dependent alternative splicing in mammalian cells.1?TG003 affects the regulation of alternative splicing by phosphorylation of SR protein both in vitro and in vivo. Promotes skipping of exon 31 in the endogenous dystrophin gene.3 TG003 increases levels of Clk1/4 mature mRNAs by promoting splicing of the intron-retaining RNAs.4
• Uses: TG 003 is a potent, ATP-competitive inhibitor of Clk-family kinases.

Technology Process of (Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one

There total 1 articles about (Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one 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: 54.1%

3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide (41616-97-1) + acetic anhydride (108-24-7) → TG003 (719277-26-6)

Guidance literature:

With triethylamine; In acetonitrile; for 2h; Heating / reflux;

upstream raw materials:

3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide

acetic anhydride