STF-118804

Base Information

• Chemical Name: STF-118804
• CAS No.: 894187-61-2
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.541
• Mol file: 894187-61-2.mol

Synonyms:STF-118804;Benzamide, 4-[5-methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)-;4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)benzamide;4-(5-methyl-4-((phenylsulfonyl)methyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

Chemical Property of STF-118804

Chemical Property:

• PKA: 13.00±0.46(Predicted)
• PSA: 110.54000
• Density: 1.281±0.06 g/cm3(Predicted)
• LogP: 5.72900
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

STF 118804 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: STF-118804 is a highly specific NAMPT inhibitor, improves survival in an orthotopic xenotransplant model of high-risk acute lymphoblastic leukemia, and targets leukemia stem cells.

Technology Process of STF-118804

There total 10 articles about STF-118804 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: 79.0%

→ 4-(5-methyl-4-{[(4-methylphenyl)sulfonyl]methyl}-1,3-oxazol-2-yl)-N-(3-pyridinylmethyl)benzamide (894187-61-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; at 20 - 66 ℃; for 3h;

With pyridine; at 20 ℃; for 16h;

Reference yield:

4-(5-methyl-4-(p-tolylthiomethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide → 4-(5-methyl-4-{[(4-methylphenyl)sulfonyl]methyl}-1,3-oxazol-2-yl)-N-(3-pyridinylmethyl)benzamide (894187-61-2)

Guidance literature:

With Oxone; In methanol; water; at 0 - 20 ℃; for 1h;

Reference yield:

methyl 4-(4,5-dimethyl-3-oxido-1,3-oxazol-2-yl)benzoate → 4-(5-methyl-4-{[(4-methylphenyl)sulfonyl]methyl}-1,3-oxazol-2-yl)-N-(3-pyridinylmethyl)benzamide (894187-61-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: trichlorophosphate / dichloromethane / 16 h / 40 °C

1.2: 0.17 h / Cooling with ice

2.1: caesium carbonate / N,N-dimethyl-formamide / 50 °C / Inert atmosphere

3.1: water; hydrogenchloride / 90 °C

4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / 20 °C

5.1: Oxone / water; methanol / 1 h / 0 - 20 °C

With hydrogenchloride; Oxone; water; benzotriazol-1-ol; caesium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trichlorophosphate; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

4-(5-methyl-4-(p-tolylthiomethyl)oxazol-2-yl)benzoic acid

methyl 4-formylbenzoate

3-Aminomethylpyridine

4-[4-(hydroxymethyl)-5-methyl-1,3-oxazol-2-yl]benzoic acid

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