(S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid

Base Information

• Chemical Name: (S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid
• CAS No.: 1342211-31-7
• Molecular Formula: C₁₈H₂₇N₃O₆
• Molecular Weight: 381.429
• Mol file: 1342211-31-7.mol

Synonyms:(S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid

Chemical Property of (S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid

Chemical Property:

• Boiling Point: 695.4±50.0 °C(Predicted)
• Density: 1.232±0.06 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

MC-Val-Ala-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid

There total 1 articles about (S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic 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: 97.0%

6-maleimidohexanoic acid N-hydroxylsuccinimide ester (55750-63-5) + Val-Ala (1115-74-8,6491-43-6,19079-64-2,63289-08-7,83638-82-8,150350-79-1,27493-61-4) → (S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid (1342211-31-7)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 91.0%

4-aminobenzenemethanol (623-04-1) + (S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid (1342211-31-7) → 6-(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-yl)-N-[(S)-1-{[(S)-1-{[4-(hydroxymethyl)phenyl] amino}-1-oxopropan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]hexanamide (1870916-87-2)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In methanol; dichloromethane; at 20 ℃;

Reference yield: 50.0%

(S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid (1342211-31-7) + (S)-2-(4-aminophenyl)-7-methoxy-8-(3-((S)-7-methoxy-2-methyl-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-8-yloxy)propoxy)-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5(11aH)-one (1342211-40-8) → 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-((S)-7-methoxy-8-(3-(((S)-7-methoxy-2-methyl-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)oxy)propoxy)-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide (1342211-57-7)

Guidance literature:

(S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid; With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In methanol; dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

(S)-2-(4-aminophenyl)-7-methoxy-8-(3-((S)-7-methoxy-2-methyl-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-8-yloxy)propoxy)-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5(11aH)-one; In methanol; dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

upstream raw materials:

6-maleimidohexanoic acid N-hydroxylsuccinimide ester

Val-Ala

Downstream raw materials:

6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-((S)-7-methoxy-8-(3-(((S)-7-methoxy-2-methyl-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)oxy)propoxy)-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide

methyl 4-((S)-8-((5-(((S)-2-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)propanamido)phenyl)-7-methoxy-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-7-methoxy-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl)benzoate

6-(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-yl)N-((S)-1-(((S)-1-((4-((S)-8-(3-(((S)-2-(4-hydroxyphenyl)-7-methoxy-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)propoxy)-7-methoxy-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide

(S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-hexanamido)-3-methylbutanamido)propanoic acid