Propan-2-yl (2S)-2-{[(2S)-2-{[(2S,3R)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoyl]amino}-4-(methanesulfonyl)butanoate

Base Information

• Chemical Name: Propan-2-yl (2S)-2-{[(2S)-2-{[(2S,3R)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoyl]amino}-4-(methanesulfonyl)butanoate
• CAS No.: 1177806-11-9
• Molecular Formula: C26H47Cl2N3O6S2
• Molecular Weight: 632.7
• ChEMBL ID: CHEMBL1332897
• DSSTox Substance ID: DTXSID80587884
• Pharos Ligand ID: LB98K893YTPT
• Wikidata: Q82480360
• Mol file: 1177806-11-9.mol

Synonyms:2-(2-(2-amino-3-mercapto)propylamino-3-methyl)pentyloxy-3-phenylpropionylmethionine sulfone isopropyl ester;L 744,832;L 744832;L-744,832;L-744832

Chemical Property of Propan-2-yl (2S)-2-{[(2S)-2-{[(2S,3R)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoyl]amino}-4-(methanesulfonyl)butanoate

Chemical Property:

• Melting Point: 165-168°C
• PSA: 187.49000
• LogP: 6.36310
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 19
• Exact Mass: 559.27497851
• Heavy Atom Count: 37
• Complexity: 769

Purity/Quality:

98% ^*data from raw suppliers

L-744832 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OC(C)C)NCC(CS)N
• Isomeric SMILES: CC[C@@H](C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NC[C@H](CS)N
• Uses: L-744,832 is ras farnesyltransferase inhibitor. Induces tumor regression in transgenic mice with multiple oncogenic mutations by mediating alterations in both cell cycle control and apoptosis. Induces p21 expressoin and arrests cells at G1. Causes enhanced mitotic Ras farnesyltransferase inhibitor. Induces tumor regression in transgenic mice with multiple oncogenic mutations by mediating alterations in both cell cycle control and apoptosis. Induces p21 expressoin and arrests cells at G1. Causes enhanced mitotic sensitivity to taxol.