(2S)-1-{(2S,5S,8S,11S,14R,15S)-14-amino-11-[(1R)-1-(tert-butoxy)ethyl]-2-{3-[(imino{[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino}methyl)amino]propyl}-15-methyl-5-[(1S)-1-methylpropyl]-4,7,10,13-tetraoxo-8-propyl-3,6,9,12-tetraazaheptadec-1-anoyl}-2-pyrrolidinecarboxylic acid -Drug Synthesis Database

【结构式】

【分子编号】61399

【品名】(2S)-1-{(2S,5S,8S,11S,14R,15S)-14-amino-11-[(1R)-1-(tert-butoxy)ethyl]-2-{3-[(imino{[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino}methyl)amino]propyl}-15-methyl-5-[(1S)-1-methylpropyl]-4,7,10,13-tetraoxo-8-propyl-3,6,9,12-tetraazaheptadec-1-anoyl}-2-pyrrolidinecarboxylic acid

【CA登记号】

【分子式】C₅₀H₈₇N₉O₁₁S

【分子量】1022.36084

【元素组成】C 58.74% H 8.58% N 12.33% O 17.21% S 3.14%

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：(XII)

To the peptide resin (X) are sequentially coupled N-Fmoc-D-isoleucine (XI), N-Fmoc-L-valine (XIII), and N-Fmoc-glycine (XV) to produce - after the corresponding deprotection steps with piperidine in DMF- the peptide resins (XII), (XIV) and (XVI) respectively.

参考文献中间体

合成目标

【1】 Haviv, F.; Kalvin, D.M.; Henkin, J.; Bradley, M.F.; Schneider, A.J. (Abbott Laboratories Inc.); Peptide antiangiogenic drugs. JP 2002516342; WO 9961476 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(X)	61398	(2S)-1-{(2S,5S,8S,11S,12R)-11-amino-2-{3-[(imino{[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino}methyl)amino]propyl}-12,14,14-trimethyl-5-[(1S)-1-methylpropyl]-4,7,10-trioxo-8-propyl-13-oxa-3,6,9-triazapentadec-1-anoyl}-2-pyrrolidinecarboxylic acid		C₄₄H₇₆N₈O₁₀S	详情	详情
(XI)	49375	(2R,3S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methylpentanoic acid		C₂₁H₂₃NO₄	详情	详情
(XII)	61399	(2S)-1-{(2S,5S,8S,11S,14R,15S)-14-amino-11-[(1R)-1-(tert-butoxy)ethyl]-2-{3-[(imino{[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino}methyl)amino]propyl}-15-methyl-5-[(1S)-1-methylpropyl]-4,7,10,13-tetraoxo-8-propyl-3,6,9,12-tetraazaheptadec-1-anoyl}-2-pyrrolidinecarboxylic acid		C₅₀H₈₇N₉O₁₁S	详情	详情
(XIII)	19932	(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbutyric acid		C₂₀H₂₁NO₄	详情	详情
(XIV)	61400	(2S)-1-{(2S,5S,8S,11S,14R,17S)-17-amino-11-[(1R)-1-(tert-butoxy)ethyl]-2-{3-[(imino{[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino}methyl)amino]propyl}-18-methyl-5,14-bis[(1S)-1-methylpropyl]-4,7,10,13,16-pentaoxo-8-propyl-3,6,9,12,15-pentaazanonadec-1-anoyl}-2-pyrrolidinecarboxylic acid		C₅₅H₉₆N₁₀O₁₂S	详情	详情
(XV)	42131	2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]acetic acid	29022-11-5	C₁₇H₁₅NO₄	详情	详情
(XVI)	61401	(2S)-1-{(2S,5S,8S,11S,14R,17S)-20-amino-11-[(1R)-1-(tert-butoxy)ethyl]-2-{3-[(imino{[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino}methyl)amino]propyl}-17-isopropyl-5,14-bis[(1S)-1-methylpropyl]-4,7,10,13,16,19-hexaoxo-8-propyl-3,6,9,12,15,18-hexaazaicos-1-anoyl}-2-pyrrolidinecarboxylic acid		C₅₇H₉₉N₁₁O₁₃S	详情	详情

Extended Information