2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

Base Information

Chemical Name:2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester
CAS No.:75172-50-8
Molecular Formula:C₅₄H₇₂N₁₀O₁₃
Molecular Weight:1069.22
Hs Code.:

2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

Synonyms:2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

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Chemical Property of 2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

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Technology Process of 2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

There total 1 articles about 2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: C₇₃H₉₀N₁₀O₁₆

: 75172-50-8
2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

Guidance literature:: With hydrogen fluoride; methoxybenzene; at 0 ℃; for 0.5h;
DOI:10.1021/ja00541a025

Reference yield: 80.0%

: 75172-50-8
2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

: 75172-51-9
2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-7-hydrazinocarbonyl-heptanoic acid

Guidance literature:: With N,N-dimethyl-formamide; hydrazine; for 1h; Ambient temperature;
DOI:10.1021/ja00541a025

Reference yield:

: 75172-50-8
2-({(2S,5R,8S,11S,14S,19S)-19-Amino-2-benzyl-11-(1-hydroxy-ethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-8-[4-(pyridin-4-ylmethoxycarbonylamino)-butyl]-1,4,7,10,13-pentaaza-cycloicosane-14-carbonyl}-amino)-octanedioic acid 8-methyl ester

: 74297-58-8,75172-53-1
(1S,4S,7S,10R,13S,16S)-7-(4-Amino-butyl)-13-benzyl-4-(1-hydroxy-ethyl)-10-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,26-heptaoxo-2,5,8,11,14,17,25-heptaaza-bicyclo[14.10.4]triacontane-24-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / NH₂NH₂, DMF / 1 h / Ambient temperature

2: isoamyl nitrite, HCl / tetrahydrofuran; dimethylformamide / 1 h / -25 °C

3: DIPEA, pH 7.0 / dimethylformamide / 1.) -20 deg C (18 h), 2.) 5 deg C (72 h)

4: 36.3 mg / H₂ / Pd-C / aq. acetic acid; ethanol / 1 h / 960 Torr

With hydrogenchloride; hydrogen; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; hydrazine; isopentyl nitrite; palladium on activated charcoal; In tetrahydrofuran; ethanol; acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/ja00541a025