INT-777

INT-777
Identifiers
	IUPAC name (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid;
CAS Number	1199796-29-6;
PubChem CID	45483949;
IUPHAR/BPS	7048;
ChemSpider	24531963;
UNII	UTD8BCW6B8;
ChEMBL	ChEMBL567640;
Chemical and physical data
Formula	C27H46O5
Molar mass	450.660 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O;
	InChI InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1; Key:NPBCMXATLRCCLF-IRRLEISYSA-N;

INT-777 is an experimental drug which acts as a potent and selective agonist for the G protein-coupled bile acid receptor (GPBAR1/TGR5). It has antiinflammatory effects and has been researched for various conditions including diabetes and pulmonary arterial hypertension.^[1]^[2]^[3]^[4]

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Identifiers

IUPAC name (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
CAS Number	1199796-29-6
PubChem CID	45483949
IUPHAR/BPS	7048
ChemSpider	24531963
UNII	UTD8BCW6B8
ChEMBL	ChEMBL567640
Chemical and physical data
Formula	C₂₇H₄₆O₅
Molar mass	450.660 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O
InChI InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1 Key:NPBCMXATLRCCLF-IRRLEISYSA-N