Talmapimod

Base Information

• Chemical Name: Talmapimod
• CAS No.: 309913-83-5
• Deprecated CAS: 750646-72-1,864249-70-7
• Molecular Formula: C27H30ClFN4O3
• Molecular Weight: 513.012
• Hs Code.: 2924297099
• UNII: B1E00KQ6NT
• DSSTox Substance ID: DTXSID10953119
• Wikidata: Q27088933
• NCI Thesaurus Code: C79841
• Pharos Ligand ID: JPKVUCUGMAKB
• Metabolomics Workbench ID: 149463
• ChEMBL ID: CHEMBL514201
• Mol file: 309913-83-5.mol

Synonyms:SCIO-469

Chemical Property of Talmapimod

Chemical Property:

• Boiling Point: 657.971 °C at 760 mmHg
• PKA: 6.52±0.70(Predicted)
• Flash Point: 351.729 °C
• PSA: 65.86000
• Density: 1.297 g/cm³
• LogP: 3.85250
• Storage Temp.: Desiccate at +4°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 512.1990467
• Heavy Atom Count: 36
• Complexity: 836

Purity/Quality:

99% ^*data from raw suppliers

SCIO 469 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(C(CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F
• Isomeric SMILES: C[C@@H]1CN([C@H](CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F
• Recent ClinicalTrials: SCIO-469: Open-Label Study for Patients With Myelodysplastic Syndromes.
• Uses: Talmapimod is a p38 mitogen-activated protein (MAP) kinase inhibitor. Talmapimod reduced human myeloma cell growth in vivo both at early and advanced phases of the disease in mouse xenograft models. T almapimod that blocks tumor necrosis factor-α, interleukin-1β, and cyclooxygenase-2 synthesis in patients with active rheumatoid arthritis (RA) Talmapimod is a p38 mitogen-activated protein (MAP) kinase inhibitor. Talmapimod reduced human myeloma cell growth in vivo both at early and advanced phases of the disease in mouse xenograft models. Talmapimod that blocks tumor necrosis factor-α, interleukin-1β, and cyclooxygenase-2 synthesis in patients with active rheumatoid arthritis (RA)

Technology Process of Talmapimod

There total 1 articles about Talmapimod 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:

C25H24Cl2FN3O3 + dimethyl amine (124-40-3) → Talmapimod (309913-83-5)

Guidance literature:

In tetrahydrofuran; dichloromethane; for 0.5h;

Reference yield: 89.0%

Talmapimod (309913-83-5) → (2R-trans)-6-chloro-5-[[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-alpha-oxo-1H-indole-3-acetamide monohydrochloride

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 35 ℃; Product distribution / selectivity;

upstream raw materials:

dimethyl amine

Refernces