CAS 355025-24-0

3-[[[4-[4-[[[1-(2-Chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]propanoic acid

Description:

The chemical substance known as 3-[[[4-[4-[[[1-(2-Chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]propanoic acid, with the CAS number 355025-24-0, is a complex organic compound characterized by its multi-functional structure. It features a propanoic acid backbone, which is a carboxylic acid, indicating potential acidic properties. The presence of a thioether linkage suggests that it may exhibit unique reactivity and solubility characteristics. Additionally, the compound contains an isoxazole ring, which is known for its biological activity, potentially contributing to pharmacological properties. The chlorophenyl and ethoxy groups enhance its lipophilicity, possibly influencing its interaction with biological membranes. Overall, this compound's intricate structure suggests it may be of interest in medicinal chemistry, particularly in the development of therapeutic agents, although specific biological activities would require empirical investigation. Its synthesis and characterization would involve standard organic chemistry techniques, including functional group transformations and purification methods.

Formula: C₂₃H₂₃ClN₂O₅S

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: InChIKey=LLIFMNUXGDHTRO-UHFFFAOYSA-N

SMILES: N(C(OC(C)C1=C(Cl)C=CC=C1)=O)C2=C(ON=C2C)C3=CC=C(CSCCC(O)=O)C=C3

Synonyms:

• Propanoic acid, 3-[[[4-[4-[[[1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]-
• Ki 16425
• 3-[[4-[4-[1-(2-Chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
• 3-[[[4-[4-[[[1-(2-Chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]propanoic acid

KI16425

CAS: 355025-24-0

Formula: C₂₃H₂₃ClN₂O₅S

Purity: %

Color and Shape: Solid

Molecular weight: 474.9571

Ref: IN-DA00C0WN

Ki16425

CAS: 355025-24-0

Ki16425

Purity: 98+%

Molecular weight: 474.96g/mol

Ref: 54-OR1024404

Ki16425

CAS: 355025-24-0

Ki16425

Purity: ≥95%

Molecular weight: 474.96g/mol

Ref: 54-BUP09996

Ki16425

CAS: 355025-24-0

Ki16425 (Debio 0719) is a competitive, potent and reversible antagonist to LPA1, LPA2 and LPA3 with Ki of 0.34 μM, 6.5 μM and 0.93 μM, respectively.

Formula: C₂₃H₂₃ClN₂O₅S

Purity: 97.6% - 97.78%

Color and Shape: Solid

Molecular weight: 474.96

Ref: TM-T6108

Ki16425

Controlled Product

CAS: 355025-24-0

Applications Ki16425 is a competitive, potent and reversible antagonist to LPA1, LPA2 and LPA3.
References Ohta, H., et al. Mol. Pharmacol., 64, 994 (2003); Moughal, N., et al.: J. Neurochem., 98, 1920 (2006); Nochi, H., et al.: J. Immunol., 181, 5111 (2008); Ma, L., et al.: J. Neurochem., 109, 603 (2009)

Formula: C₂₃H₂₃ClN₂O₅S

Color and Shape: Neat

Molecular weight: 474.957

Ref: TR-K440000