Ile-Leu

Base Information

• Chemical Name: Ile-Leu
• CAS No.: 26462-22-6
• Molecular Formula: C12H24N2O3
• Molecular Weight: 244.33100
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID00427071
• Nikkaji Number: J1.013.425K
• Wikidata: Q27144385
• Metabolomics Workbench ID: 78846
• ChEMBL ID: CHEMBL48832
• Mol file: 26462-22-6.mol

Synonyms:H-ILE-LEU-OH;Ile-Leu;26462-22-6;Isoleucyl-Leucine;L-Isoleucyl-L-Leucine;CHEBI:74072;(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoic acid;L-Leucine, L-isoleucyl-;isoleucylleucine;(S)-2-((2S,3S)-2-Amino-3-methylpentanamido)-4-methylpentanoic acid;L-Ile-L-Leu;CHEMBL48832;SCHEMBL3010040;DTXSID00427071;IL;MFCD00190933;AKOS010421058;BS-16334;CS-0314994;D81944;Q27144385

Chemical Property of Ile-Leu

Chemical Property:

• Boiling Point: 432.7±30.0 °C(Predicted)
• PKA: 3.16±0.10(Predicted)
• PSA: 92.42000
• Density: 1.051±0.06 g/cm3(Predicted)
• LogP: 2.06650
• Storage Temp.: -15°C
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 244.17869263
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99%+, ^*data from raw suppliers

H-ILE-LEU-OH 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
• Uses: Isoleucylleucine can be used to inhibit movement-induced muscle damage and muscle defective condition.

Technology Process of Ile-Leu

There total 14 articles about Ile-Leu 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: 67.0%

N-trifluoroacetyl-L-isoleucyl-L-leucine methyl ester (2343-74-0) → Ile-Leu (26462-22-6)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 30h;

DOI:10.1134/S1070428015050048

Reference yield:

Fmoc-Leu-OH (35661-60-0) + Fmoc-Ile-OH (71989-23-6,251316-98-0) → Ile-Leu (26462-22-6)

Guidance literature:

Fmoc-Leu-OH; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.5h;

With N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;

Fmoc-Ile-OH; Further stages;

DOI:10.3390/md11124834

Reference yield:

L-isoleucyl-L-leucine hydrochloride → Ile-Leu (26462-22-6)

Guidance literature:

With triethylamine; In methanol; dichloromethane; for 2h;

DOI:10.1134/S1070428015050048

upstream raw materials:

2-bromo-3-methyl-valeryl chloride

LEUCINE

N-Benzyloxycarbonyl-L-isoleucyl-L-leucin

(S)-Leu-OMe

Refernces

• 1、 Pesic, Alexander,Baumann, Heike I.,Kleinschmidt, Katrin,Ensle, Paul,Wiese, Jutta,Suessmuth, Roderich D.,Imhoff, Johannes F.. "Champacyclin, a new cyclic octapeptide from Streptomyces strain C42 isolated from the Baltic Sea". . p. 4834 - 4857. Retrieved 2014/02/14.