(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

Base Information

Chemical Name:(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide
CAS No.:128972-42-9
Molecular Formula:C₄₅H₅₉N₉O₄
Molecular Weight:790.021
Hs Code.:

(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

Chemical Property:

Purity/Quality:: 98% ^*data from raw suppliers

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Useful:

Technology Process of (3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

There total 20 articles about (3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide 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:

: 3099-31-8
nicotinyl chloride

: 128972-42-9,129096-85-1
(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) NaH / 1.) DMF, 0 deg C, 2.) 2 h

2: 2 M aq. NaOH / ethanol / 1 h

3: triethylamine, 1-hydroxybenzotriazole (HOBT), ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride / dimethylformamide / 18 h / 20 °C

4: H₂ / 10percent Pd/C / ethanol / 1 h / 20 °C

With sodium hydroxide; hydrogen; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00171a005

Reference yield:

: {3-[((S)-2-{(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoylamino}-4-methyl-pentanoylamino)-methyl]-benzyl}-carbamic acid benzyl ester

: 128972-42-9,129096-85-1
(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 1h;
DOI:10.1021/jm00171a005

Reference yield:

: 1477-55-0
1,3-di(aminomethyl)benzene

: 128972-42-9,129096-85-1
(3S,4S)-3-Hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [(S)-1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide

Guidance literature:: Multi-step reaction with 7 steps

1: CH₂Cl₂ / 2 h / 0 °C

2: NaHCO₃ / acetone / 3 h / 0 °C

3: 4 M HCl / dioxane

4: 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloridetriethylamine, 1-hydroxybenzotriazole hydrate / 18 h

5: 4 M HCl / dioxane

6: triethylamine, 1-hydroxybenzotriazole (HOBT), ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride / dimethylformamide / 18 h / 20 °C

7: H₂ / 10percent Pd/C / ethanol / 1 h / 20 °C

With hydrogenchloride; hydrogen; sodium hydrogencarbonate; benzotriazol-1-ol; 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; palladium on activated charcoal; In 1,4-dioxane; ethanol; dichloromethane; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00171a005