1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

Base Information

Chemical Name:1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid
CAS No.:116662-73-8
Molecular Formula:C₂₆H₃₇N₅O₇
Molecular Weight:531.609
Hs Code.:
Mol file:116662-73-8.mol

Synonyms:1-(N2-nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid;DU 1777;DU-1777

Suppliers and Price of 1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

Supply Marketing:

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

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Chemical Property of 1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:933.6°Cat760mmHg
Flash Point:518.4°C
PSA：192.02000
Density:1.306g/cm³
LogP:2.32290
XLogP3:-1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:531.26929854
Heavy Atom Count:38
Complexity:869

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2C(C1)CC(N2C(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C3=CN=CC=C3)C(=O)O
Isomeric SMILES:C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C3=CN=CC=C3)C(=O)O

Technology Process of 1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

There total 5 articles about 1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic 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: 64.0%

: 116586-27-7
(2S,3aS,7aS)-1-(N⁶-Z-N²-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

: 116662-73-8,116662-75-0
(2S,3aS,7aS)-1-(N²-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

Guidance literature:: With hydrogen; ammonium formate; palladium carbon; In methanol; for 3h; Ambient temperature;
DOI:10.1248/cpb.38.110

Reference yield:

: 78348-28-4
nicotinic acid succinimidyl ester

: 116662-73-8,116662-75-0
(2S,3aS,7aS)-1-(N²-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / NaHCO₃ / tetrahydrofuran; H₂O / Ambient temperature

2: 64 percent / ammonium formate, H₂ / 10percent palladium carbon / methanol / 3 h / Ambient temperature

With hydrogen; ammonium formate; sodium hydrogencarbonate; palladium carbon; In tetrahydrofuran; methanol; water;
DOI:10.1248/cpb.38.110

Reference yield:

: 116586-21-1
(2S,3aS,7aS)-1-(γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

: 116662-73-8,116662-75-0
(2S,3aS,7aS)-1-(N²-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 69 percent / potassium hydroxide, potassium carbonate / dioxane; H₂O / 2 h / -5 - 0 °C

2: 85 percent / NaHCO₃ / tetrahydrofuran; H₂O / Ambient temperature

3: 64 percent / ammonium formate, H₂ / 10percent palladium carbon / methanol / 3 h / Ambient temperature

With potassium hydroxide; hydrogen; ammonium formate; sodium hydrogencarbonate; potassium carbonate; palladium carbon; In tetrahydrofuran; 1,4-dioxane; methanol; water;
DOI:10.1248/cpb.38.110