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【结 构 式】 
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【药物名称】TBC-3342 【化学名称】3(S)-(1,3-Benzodioxol-5-yl)-3-[3-[2-(benzylsulfanyl)-1(S)-(phenylsulfanylmethyl)ethyl]ureido]propionic acid 【CA登记号】247094-08-2 【 分 子 式 】C27H28N2O5S2 【 分 子 量 】524.66261 |
【开发单位】Encysive Pharmaceuticals (Originator), Schering-Plough (Licensee) 【药理作用】Antiallergy/Antiasthmatic Drugs, Asthma Therapy, RESPIRATORY DRUGS, Integrin alpha4beta1 (VLA-4) Antagonists |
合成路线1
Amine (I) was treated with phosgene to produce isocyanate (II), which was coupled with ethyl 3-amino-3-(3,4-methylenedioxyphenyl)propionate (III), yielding urea (IV). Basic hydrolysis of the ethyl ester of (IV) then gave the title carboxylic acid.
| 【1】 Raju, B.G.; Scott, I.L.; Biediger, R.J.; Market, R.V.; Grabbe, V.O.; Kassir, J.M.; Kogan, T.P.; Lin, S. (Texas Biotechnology Corp.); N,N-Disubstd. amides that inhibit the binding of integrins to their receptors. US 6096773; WO 9952493; WO 9952898 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 38485 | (1S)-2-(benzylsulfanyl)-1-[(phenylsulfanyl)methyl]ethylamine; (2S)-1-(benzylsulfanyl)-3-(phenylsulfanyl)-2-propanamine | C16H19NS2 | 详情 | 详情 | |
| (II) | 38486 | 1-[[(2S)-3-(benzylsulfanyl)-2-isocyanatopropyl]sulfanyl]benzene; (1S)-2-(benzylsulfanyl)-1-[(phenylsulfanyl)methyl]ethyl isocyanate | C17H17NOS2 | 详情 | 详情 | |
| (III) | 38472 | ethyl (3S)-3-amino-3-(1,3-benzodioxol-5-yl)propanoate | C12H15NO4 | 详情 | 详情 | |
| (IV) | 38487 | ethyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[[([(1S)-2-(benzylsulfanyl)-1-[(phenylsulfanyl)methyl]ethyl]amino)carbonyl]amino]propanoate | C29H32N2O5S2 | 详情 | 详情 |
Extended Information