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【结 构 式】 
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【药物名称】QM-96639 【化学名称】4-(Cyanomethyl)-2-(3-fluorobenzyl)-3,4-dihydro-2H-thieno[3,4-e]-1,2,4-thiadiazin-3-one 1,1-dioxide 【CA登记号】206662-19-3 【 分 子 式 】C14H10FN3O3S2 【 分 子 量 】351.3805 |
【开发单位】CSIC (Originator), Katholieke Universiteit Leuven (Originator) 【药理作用】AIDS Medicines, Anti-HIV Agents, ANTIINFECTIVE THERAPY, Reverse Transcriptase Inhibitors |
合成路线1
Alkylation of 1,1,3-trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine (I) at the N-2 with 3-fluorobenzyl chloride (II) in the presence of NaH in DMF yielded the 2-benzyl derivative (III), which was further alkylated with chloroacetonitrile (IV) at the N-4 to provide the title compound.
| 【1】 Arranz, E.; Díaz, J.A.; Ingate, S.T.; Witvrouw, M.; Pannecouque, C.; Balzarini, J.; De Clercq, E.; Vega, S.; Novel 1,1,3-trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine derivatives as non-nucleoside reverse transcriptase inhibitors that inhibit human immunodeficiency virus type 1 replication. J Med Chem 1998, 41, 21, 4109. |
| 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) | 27304 | 1lambda(6)-thieno[3,4-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione | C5H4N2O3S2 | 详情 | 详情 | |
| (II) | 27307 | 3-fluorobenzyl chloride; 1-(chloromethyl)-3-fluorobenzene | 456-42-8 | C7H6ClF | 详情 | 详情 |
| (III) | 27308 | 2-(3-fluorobenzyl)-2H-thieno[3,4-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione | C12H9FN2O3S2 | 详情 | 详情 | |
| (IV) | 14443 | 2-chloroacetonitrile; chloroacetonitrile | 107-14-2 | C2H2ClN | 详情 | 详情 |
Extended Information