Chemistry:Nidufexor

Nidufexor
Identifiers
	IUPAC name 4-{[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl}benzoic acid;
CAS Number	1773489-72-7;
PubChem CID	118063735;
ChemSpider	57617776;
UNII	CJ1PL0TE6J;
ChEMBL	ChEMBL4297626;
Chemical and physical data
Formula	C27H22ClN3O4
Molar mass	487.94 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN1C2=C(COC3=C2C=C(C=C3)Cl)C(=N1)C(=O)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O;
	InChI InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34); Key:JYTIXGYXBIBOMN-UHFFFAOYSA-N;

Nidufexor (LMB-763) is a drug which acts as a partial agonist of the farnesoid X receptor (FXR). It has reached Phase II clinical trials for the treatment of diabetic nephropathy and nonalcoholic steatohepatitis.^[1]^[2]

References

↑ "Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis". Journal of Medicinal Chemistry 63 (8): 3868–3880. April 2020. doi:10.1021/acs.jmedchem.9b01621. PMID 31940200.
↑ "Bile acid modulators for the treatment of nonalcoholic steatohepatitis (NASH)". Expert Opinion on Investigational Drugs 29 (6): 623–632. June 2020. doi:10.1080/13543784.2020.1763302. PMID 32552182.

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v t e FXR and LXR modulators
FXR	Agonists: Bile acids Cafestol Chenodeoxycholic acid Cilofexor Fexaramine GW-4064 Nidufexor Obeticholic acid Tropifexor Antagonists: Guggulsterone
LXR	Agonists: 22R-Hydroxycholesterol 24S-Hydroxycholesterol 27-Hydroxycholesterol Cholestenoic acid DMHCA GW-3965 Hypocholamide T-0901317 Antagonists: Efavirenz
See also Receptor/signaling modulators

Identifiers

IUPAC name 4-{[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl}benzoic acid
CAS Number	1773489-72-7
PubChem CID	118063735
ChemSpider	57617776
UNII	CJ1PL0TE6J
ChEMBL	ChEMBL4297626
Chemical and physical data
Formula	C₂₇H₂₂ClN₃O₄
Molar mass	487.94 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN1C2=C(COC3=C2C=C(C=C3)Cl)C(=N1)C(=O)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O
InChI InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34) Key:JYTIXGYXBIBOMN-UHFFFAOYSA-N