Product Information
Chemical Formula: | C23H23ClN2O5S |
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Molecular Weight: | 474.96 |
Synonyms: | 3-[[[4-[4-[[[1-(2-Chlorophenyl)Ethoxy]Carbonyl]Amino]-3-Methyl-5-Isoxazoly]Phenyl]Methyl]Thio]-Propanoic Acid; 3-[[[4-[4-[[[1-(2-Chlorophenyl)Ethoxy]Carbonyl]Amino]-3-Methyl-5-Isoxazolyl]Phenyl]Methyl]Thio]Propanoic Acid; Ki-6425; 3-(4-(4-((1-(2-Chlorophenyl)Ethoxy)Carbonyl)-3-Methylisoxazol-5-Yl)Benzylthio)Propanoic Acid; Ki16425, >=98%; 3-[[4-[4-[1-(2-Chlorophenyl)Ethoxycarbonylamino]-3-Methyl-Isoxazol-5-Yl]Phenyl]Methylsulfanyl]Propanoic Acid; 3-((4-(4-(((1-(2-Chlorophenyl)Ethoxy)Carbonyl)Amino)-3-Methylisoxazol-5-Yl)Benzyl)Thio)Propano; Ki 16425, 98%, Competitive, Potent And Reversible Antagonist To Lpa |
MDL No.: | MFCD06798341 |
EINECS / EC No.: | N/A |
Pubchem CID: | 10367662 |
IUPAC Name: | 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid |
Standard InchI: | InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28) |
InchI Key: | LLIFMNUXGDHTRO-UHFFFAOYSA-N |
SMILES: | CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)O |
Appearance: | white solid |
Melting Point: | N/A |
Boiling Point: | 623.7 °C at 760 mmHg |
Density (Theoretical): | 1.353 |
Solubility: | DMSO: 16 mg/mL |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Flash Point: | 331 °C |
Transportation Information: | N/A |
GHS Pictograms: |