CAS 2070015-01-7

1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (3,5-dichlorophenyl)methyl ester, hydrochloride (1:1)

Description:

1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (3,5-dichlorophenyl)methyl ester, hydrochloride (1:1) is a complex organic compound characterized by its piperazine and benzoxazole moieties, which contribute to its potential biological activity. The presence of the piperazine ring suggests possible interactions with biological targets, particularly in pharmacology, where piperazine derivatives are often explored for their therapeutic properties. The compound features a carboxylic acid functional group, which can influence solubility and reactivity, while the ester linkage may affect its stability and bioavailability. The incorporation of a dichlorophenyl group enhances its lipophilicity, potentially improving membrane permeability. As a hydrochloride salt, it is likely to exhibit increased solubility in aqueous environments, making it suitable for various formulations. Overall, this compound's structural complexity and functional groups suggest it may have applications in medicinal chemistry, particularly in the development of novel pharmaceuticals. However, specific biological activity and safety profiles would require further investigation through empirical studies.

Formula: C₂₂H₂₁Cl₂N₃O₅·ClH

InChI: InChI=1S/C22H21Cl2N3O5.ClH/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18;/h1-2,9-12H,3-8,13H2,(H,25,29);1H

InChI key: InChIKey=OEPBHEIJCGMALL-UHFFFAOYSA-N

SMILES: C(CCN1CCN(C(OCC2=CC(Cl)=CC(Cl)=C2)=O)CC1)(=O)C=3C=C4C(=CC3)NC(=O)O4.Cl

Synonyms:

• 1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (3,5-dichlorophenyl)methyl ester, hydrochloride (1:1)

PF-8380 hydrochloride

CAS: 2070015-01-7

PF-8380 hydrochloride is a powerful inhibitor of autotaxin, exhibiting an IC(50) of 2.8 nM in isolated enzyme assays and 101 nM in human whole blood.

Formula: C₂₂H₂₂Cl₃N₃O₅

Color and Shape: Solid

Molecular weight: 514.79

Ref: TM-T63575