(S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

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Chemical Name:(S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid
CAS No.:107327-18-4
Molecular Formula:C₅₁H₇₂N₁₀O₁₆S
Molecular Weight:1113.26
Hs Code.:

(S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

Synonyms:(S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

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Chemical Property of (S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

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Technology Process of (S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

There total 9 articles about (S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic 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:

: 26048-69-1
(S)-2-tert-Butoxycarbonylamino-succinic acid 4-benzyl ester 1-(4-nitro-phenyl) ester

: 107327-18-4
(S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 82 percent / N,N'-diisopropylethylamine (DIEA), 1-hydroxybenzotriazole (HOBt) / dimethylformamide / 3 h / 0 - 20 °C

2: 98 percent / H₂ / 10percent Pd/C / methanol / 2 h

3: 51 percent / Et₃N, DPPA / dimethylformamide / pH = 7-7.5; a) -25 deg C, 48 h, b) 4 deg C, 48 h

4: 1N NaOH / methanol / a) 0 deg C, 2 h, b) RT, overnight

5: 1.) N-hydroxysuccinimide (HONSu), N,N'-dicyclohexylcarbodiimide (DCC), 2.) Et₃N / 1.) DMF, a) from -10 deg C to 0 deg C, 2 h 45 min, b) RT, overnight, 2.) DMF, RT, 48 h

6: pyridine, SO₃ / dimethylformamide / Ambient temperature

With pyridine; sodium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; diphenyl-phosphinic acid; sulfur trioxide; hydrogen; benzotriazol-1-ol; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00389a002

Reference yield:

: 107326-83-0
Boc-Asp(OBzl)-Tyr-Nle-D-Lys(Z)-Trp-OCH₃

: 107327-18-4
(S)-3-{(S)-2-[(S)-2-{[(3S,6S,9S,17R)-9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12-tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 98 percent / H₂ / 10percent Pd/C / methanol / 2 h

2: 51 percent / Et₃N, DPPA / dimethylformamide / pH = 7-7.5; a) -25 deg C, 48 h, b) 4 deg C, 48 h

3: 1N NaOH / methanol / a) 0 deg C, 2 h, b) RT, overnight

4: 1.) N-hydroxysuccinimide (HONSu), N,N'-dicyclohexylcarbodiimide (DCC), 2.) Et₃N / 1.) DMF, a) from -10 deg C to 0 deg C, 2 h 45 min, b) RT, overnight, 2.) DMF, RT, 48 h

5: pyridine, SO₃ / dimethylformamide / Ambient temperature

With pyridine; sodium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; diphenyl-phosphinic acid; sulfur trioxide; hydrogen; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00389a002