(S)-Methyl-2-naphthoylamino-3-(4-nitrophenyl)propionate

Base Information

• Chemical Name: (S)-Methyl-2-naphthoylamino-3-(4-nitrophenyl)propionate
• CAS No.: 247580-43-4
• Molecular Formula: C21H18N2O5
• Molecular Weight: 378.38
• European Community (EC) Number: 694-458-4
• DSSTox Substance ID: DTXSID30440571
• Nikkaji Number: J1.426.951G
• Wikidata: Q76415726
• Pharos Ligand ID: 49SRRCM4VAFA
• ChEMBL ID: CHEMBL33227
• Mol file: 247580-43-4.mol

Synonyms:methyl 2-naphthoylamino-3-(4-nitrophenyl)propionate;SB 328437;SB-328437

Chemical Property of (S)-Methyl-2-naphthoylamino-3-(4-nitrophenyl)propionate

Chemical Property:

• PSA: 104.71000
• LogP: 4.36010
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 378.12157168
• Heavy Atom Count: 28
• Complexity: 568

Purity/Quality:

98% ^*data from raw suppliers

SB 328437 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32
• Uses: SB 328437 is a potent and selective CCR3 receptor antagonist.