(S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide

Base Information

• Chemical Name: (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide
• CAS No.: 416898-08-3
• Molecular Formula: C₄₁H₆₂N₁₀O₆
• Molecular Weight: 791.007
• Mol file: 416898-08-3.mol

Synonyms:

Chemical Property of (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide

There total 6 articles about (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide 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: 98.0%

methylamine (74-89-5) + (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester (416898-07-2) → (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide (416898-08-3)

Guidance literature:

In methanol; for 0.75h;

DOI:10.1016/S0040-4020(01)01092-4

Reference yield:

N-(3-aminopropyl)aniline (4742-01-2) → (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide (416898-08-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 23 percent / KOAc; H₂ / Pd/C / methanol / 13 h

2: CH₂Cl₂ / 1 h

3: 1,2-dichloro-ethane / 36 h / Heating

4: TFA / CH₂Cl₂ / 1.5 h

5: methanol / 168 h

6: 98 percent / methanol / 0.75 h

With hydrogen; potassium acetate; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane; 1,2-dichloro-ethane;

DOI:10.1016/S0040-4020(01)01092-4

Reference yield:

[2-(3-phenylamino-propylamino)-ethyl]-carbamic acid tert-butyl ester (416898-05-0) → (S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide (416898-08-3)

Guidance literature:

Multi-step reaction with 5 steps

1: CH₂Cl₂ / 1 h

2: 1,2-dichloro-ethane / 36 h / Heating

3: TFA / CH₂Cl₂ / 1.5 h

4: methanol / 168 h

5: 98 percent / methanol / 0.75 h

With trifluoroacetic acid; In methanol; dichloromethane; 1,2-dichloro-ethane;

DOI:10.1016/S0040-4020(01)01092-4

upstream raw materials:

methylamine

(S)-2-{(S)-2-[3-(3-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-propyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester

N-(3-aminopropyl)aniline

[2-(3-phenylamino-propylamino)-ethyl]-carbamic acid tert-butyl ester