HEC96719

HEC96719
Legal status
Legal status	Investigational;
Identifiers
	IUPAC name 3-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[6H-[1]benzoxepino[3,2-b]pyridine-5,1'-cyclopropane]-9-carboxylic acid;
CAS Number	2181834-03-5;
PubChem CID	138675487;
ChemSpider	129200607;
ChEMBL	ChEMBL5171962;
Chemical and physical data
Formula	C29H22Cl2N2O5
Molar mass	549.40 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=NC5=C(C=C4)OC6=C(CC57CC7)C=CC(=C6)C(=O)O;
	InChI InChI=1S/C29H22Cl2N2O5/c30-19-2-1-3-20(31)24(19)25-18(26(38-33-25)15-4-5-15)14-36-23-9-8-21-27(32-23)29(10-11-29)13-17-7-6-16(28(34)35)12-22(17)37-21/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H,34,35); Key:JZJOXLSYULKNLW-UHFFFAOYSA-N;

HEC96719 is a tricyclic farnesoid X receptor agonist developed for non-alcoholic steatohepatitis.^[1]^[2]^[3]

References

^ Cao, Shengtian; Yang, Xinye; Zhang, Zheng; Wu, Junwen; Chi, Bo; Chen, Hong; Yu, Jianghong; Feng, Shanshan; Xu, Yulin; Li, Jing; Zhang, Yingjun; Wang, Xiaojun; Wang, Yan (February 2022). "Discovery of a tricyclic farnesoid X receptor agonist HEC96719, a clinical candidate for treatment of non-alcoholic steatohepatitis". European Journal of Medicinal Chemistry. 230: 114089. doi:10.1016/j.ejmech.2021.114089. PMID 34998040. S2CID 245577605.
^ Zhang, Na; Fan, Tianyun; Zhao, Liping; Li, Yiming; Bao, Yunyang; Ma, Xican; Mei, Yuheng; Wang, Yanxiang; Liu, Yonghua; Deng, Hongbin; Li, Yinghong; He, Hongwei; Song, Danqing (January 2023). "Discovery and development of palmatine analogues as anti-NASH agents by activating farnesoid X receptor (FXR)". European Journal of Medicinal Chemistry. 245 (Pt 1): 114886. doi:10.1016/j.ejmech.2022.114886. PMID 36347091. S2CID 253329947.
^ Lu, Ran; Liu, Ye; Hong, Tianpei (April 2023). "Epidemiological characteristics and management of nonalcoholic fatty liver disease/nonalcoholic steatohepatitis in China: A narrative review". Diabetes, Obesity and Metabolism. 25 (S1): 13–26. doi:10.1111/dom.15014. PMID 36775938. S2CID 256825486.

Legal status

Legal status	Investigational
Identifiers
IUPAC name 3-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[6H-[1]benzoxepino[3,2-b]pyridine-5,1'-cyclopropane]-9-carboxylic acid
CAS Number	2181834-03-5
PubChem CID	138675487
ChemSpider	129200607
ChEMBL	ChEMBL5171962
Chemical and physical data
Formula	C₂₉H₂₂Cl₂N₂O₅
Molar mass	549.40 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=NC5=C(C=C4)OC6=C(CC57CC7)C=CC(=C6)C(=O)O
InChI InChI=1S/C29H22Cl2N2O5/c30-19-2-1-3-20(31)24(19)25-18(26(38-33-25)15-4-5-15)14-36-23-9-8-21-27(32-23)29(10-11-29)13-17-7-6-16(28(34)35)12-22(17)37-21/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H,34,35) Key:JZJOXLSYULKNLW-UHFFFAOYSA-N