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【结 构 式】

【分子编号】18859

【品名】allyl (10S,13S)-10-[[(2R)-2-([(2S)-2-amino-3-[4-(tert-butoxy)phenyl]propanoyl]amino)-3-(1H-indol-3-yl)propanoyl]amino]-15-((1S)-2-[[(1S,2R)-1-(aminocarbonyl)-2-(tert-butoxy)propyl]amino]-1-benzyl-2-oxoethyl)-13-isopropyl-2,2-dimethyl-4,11,14-trioxo-3-oxa-5,12,15-triazanonadecan-19-oate

【CA登记号】

【 分 子 式 】C64H93N9O12

【 分 子 量 】1180.49588

【元素组成】C 65.12% H 7.94% N 10.68% O 16.26%

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:(XIII)

Compound (XVI) was prepared by solid phase peptide synthesis on a Rink amide 4-methylbenzhydrylamine (MBHA) resin. To the Thr-bound resin (XI) they were stepwise coupled in subsequent coupling and deprotecting cycles the following amino acids: Fmoc-Tyr(t-Bu)OH (XII), and Fmoc- (N-allyloxycarbonylaminoethyl)PheOH (XIV) to yield the corresponding peptide-bound resins (XIII) and (XV), respectively. Then, allyl and allyoxycarbonyl protecting groups were both removed from the linear peptide-bound resin (XV) by treatment with tetrakis(triphenylphosphine)palladium, acetic acid, and N-methylmorpholine (NMM) in chloroform to yield compound (XVI).

1 Gilon, C.; et al.; A backbone-cyclic, receptor 5-selective somatostatin analogue: Synthesis, bioactivity, and nuclear magnetic resonance conformational analysis. J Med Chem 1998, 41, 6, 919.
2 Hornik, V.; Seri-Levy, A.; Gellerman, G.; Gilon, C. (Yissum Research Development Co.); Conformationally constrained backbone cyclized somatostatin analogs. WO 9804583 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XI) 18857 allyl (10S,13S)-15-((1S)-2-[[(1S,2R)-1-(aminocarbonyl)-2-(tert-butoxy)propyl]amino]-1-benzyl-2-oxoethyl)-10-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-13-isopropyl-2,2-dimethyl-4,11,14-trioxo-3-oxa-5,12,15-triazanonadecan-19-oate C51H76N8O10 详情 详情
(XII) 18858 (2S)-3-[4-(tert-butoxy)phenyl]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]propionic acid C28H29NO5 详情 详情
(XIII) 18859 allyl (10S,13S)-10-[[(2R)-2-([(2S)-2-amino-3-[4-(tert-butoxy)phenyl]propanoyl]amino)-3-(1H-indol-3-yl)propanoyl]amino]-15-((1S)-2-[[(1S,2R)-1-(aminocarbonyl)-2-(tert-butoxy)propyl]amino]-1-benzyl-2-oxoethyl)-13-isopropyl-2,2-dimethyl-4,11,14-trioxo-3-oxa-5,12,15-triazanonadecan-19-oate C64H93N9O12 详情 详情
(XIV) 18860 (2S)-2-[(2-[[(allyloxy)carbonyl]amino]ethyl)[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-phenylpropionic acid C30H30N2O6 详情 详情
(XV) 18861 allyl (10S,13S,16R,19S,22S)-24-((1S)-2-[[(1S,2R)-1-(aminocarbonyl)-2-(tert-butoxy)propyl]amino]-1-benzyl-2-oxoethyl)-10-benzyl-13-[4-(tert-butoxy)benzyl]-19-[4-[(tert-butoxycarbonyl)amino]butyl]-9-[(9H-fluoren-9-ylmethoxy)carbonyl]-16-(1H-indol-3-ylmethyl)-22-isopropyl-5,11,14,17,20,23-hexaoxo-4-oxa-6,9,12,15,18,21,24-heptaaza-1-octacosen-28-oate C94H121N11O17 详情 详情
(XVI) 18862 (5S,8S,11R,14S,17S)-19-((1S)-2-[[(1S,2R)-1-(aminocarbonyl)-2-(tert-butoxy)propyl]amino]-1-benzyl-2-oxoethyl)-4-(2-aminoethyl)-5-benzyl-8-[4-(tert-butoxy)benzyl]-14-[4-[(tert-butoxycarbonyl)amino]butyl]-1-(9H-fluoren-9-yl)-11-(1H-indol-3-ylmethyl)-17-isopropyl-3,6,9,12,15,18-hexaoxo-2-oxa-4,7,10,13,16,19-hexaazatricosan-23-oic acid C87H113N11O15 详情 详情
Extended Information