EFATUTAZONE DIHYDROCHLORIDE

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H26N4O4S.2ClH
Molecular Weight	575.507
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EFATUTAZONE DIHYDROCHLORIDE

SMILES

Cl.Cl.CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC4=C1C=C(OC5=CC(C)=C(N)C(C)=C5)C=C4

InChI

InChIKey=WFIOHOJEIMQCEG-UHFFFAOYSA-N

InChI=1S/C27H26N4O4S.2ClH/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23;;/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33);2*1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count	MOL RATIO 2 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H26N4O4S
Molecular Weight	502.585
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description

Efatutazone (CS-7017 or RS-5444) is a peroxisome proliferator-activated receptor gamma (PPAR-gamma) agonist with antineoplastic properties. Mediated through activation of PPAR-gamma, this agent is capable of inducing cell differentiation and apoptosis, thereby leading to a reduction in cellular proliferation. Efatutazone was in clinical trials for the treatment of solid tumors however; its development has been discontinued.