L-Tyrosine, O-((5-amino-2-phenyl-7-benzoxazolyl)methyl)-3,5-dichloro-

Base Information

• Chemical Name: L-Tyrosine, O-((5-amino-2-phenyl-7-benzoxazolyl)methyl)-3,5-dichloro-
• CAS No.: 1037592-40-7
• Molecular Formula: C23H19Cl2N3O4
• Molecular Weight: 472.3
• UNII: CEDO9QXYZK
• Nikkaji Number: J3.064.300C
• NCI Thesaurus Code: C179105
• Pharos Ligand ID: MT1V88Y7RYZL
• ChEMBL ID: CHEMBL4538666
• Mol file: 1037592-40-7.mol

Synonyms:2-amino-3-(4-((5-amino-2-phenylbenzo(d)oxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic acid;3-(4-((5-amino-2-phenylbenzo(d)oxazol-7-yl)methoxy)-3,5-dichlorophenyl)-2-aminopropanoic acid;JPH203;KYT 0353;KYT-0353;KYT0353

Chemical Property of L-Tyrosine, O-((5-amino-2-phenyl-7-benzoxazolyl)methyl)-3,5-dichloro-

Chemical Property:

• PKA: 2.14±0.30(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: DMF (Slightly, Heated), DMSO (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 471.0752615
• Heavy Atom Count: 32
• Complexity: 626

Purity/Quality:

97% ^*data from raw suppliers

O-[(5-Amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-L-tyrosine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC(=CC(=C3O2)COC4=C(C=C(C=C4Cl)CC(C(=O)O)N)Cl)N
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC3=CC(=CC(=C3O2)COC4=C(C=C(C=C4Cl)C[C@@H](C(=O)O)N)Cl)N
• Uses: O-[(5-Amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-L-tyrosine is a L-type amino acid transporter 1 (LAT1) specific and potent inhibitor that suppresses proliferation in cancer cell lines.