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

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)-7-hydrazinocarbonyl-heptanoic acid
CAS No.:75172-51-9
Molecular Formula:C₅₃H₇₂N₁₂O₁₂
Molecular Weight:1069.23
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)-7-hydrazinocarbonyl-heptanoic acid

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)-7-hydrazinocarbonyl-heptanoic acid

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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)-7-hydrazinocarbonyl-heptanoic acid

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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)-7-hydrazinocarbonyl-heptanoic acid

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)-7-hydrazinocarbonyl-heptanoic acid 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: 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:

: 75172-51-9
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

: 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-azidocarbonyl-heptanoic acid

Guidance literature:: With hydrogenchloride; isopentyl nitrite; In tetrahydrofuran; N,N-dimethyl-formamide; at -25 ℃; for 1h;
DOI:10.1021/ja00541a025

Reference yield:

: 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

: 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 3 steps

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

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

3: 36.3 mg / H₂ / Pd-C / aq. acetic acid; ethanol / 1 h / 960 Torr

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