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【结 构 式】 
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【分子编号】41169 【品名】methyl (2S)-2-[(3-aminopropanoyl)amino]-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanoate 【CA登记号】 |
【 分 子 式 】C24H41N5O6S 【 分 子 量 】527.68564 【元素组成】C 54.63% H 7.83% N 13.27% O 18.19% S 6.08% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(XI)Derivative (VIII) is obtained as follows: Activation of protected aminoacid (IX) with DCC/HOSu and coupling with H-Arg(Pmc)-OH (A) yields carboxylic acid derivative (X) which is converted to methyl ester (XI). Catalytic hydrogenation of (XI) and coupling with the protected caproic acid (XII) in presence of DCC and HOSu provides derivative (XIII) which is finally catalytically hydrogenated yielding intermediate (VIII).
| 【1】 Guedj, R.; Peytou, V.; Aubertin, A.-M.; Terreux, R.; Bailly, C.; Patino, N.; Condom, R.; Cabrol-Bass, D.; Gelus, N.; Synthesis and antiviral activity of ethidium - Arginine conjugates directed against the TAR RNA of HIV-1. J Med Chem 1999, 42, 20, 4042. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XII),(VIII) | 41166 | methyl (2S)-2-([3-[(6-aminohexanoyl)amino]propanoyl]amino)-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanoate | C30H52N6O7S | 详情 | 详情 | |
| (A) | 41167 | (2S)-2-amino-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butyric acid | C19H32N4O5S | 详情 | 详情 | |
| (IX) | 17022 | beta-Alanine; 3-aminopropionic acid | 107-95-9 | C3H7NO2 | 详情 | 详情 |
| (X) | 41168 | (2S)-2-[(3-aminopropanoyl)amino]-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanoic acid | C23H39N5O6S | 详情 | 详情 | |
| (XI) | 41169 | methyl (2S)-2-[(3-aminopropanoyl)amino]-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanoate | C24H41N5O6S | 详情 | 详情 | |
| (XII) | 41170 | 6-aminohexanoic acid | 60-32-2 | C6H13NO2 | 详情 | 详情 |
Extended Information