Basic Description

Synonyms	FX0 \| 6alpha-Ethyl-23(S)-methylcholic acid \| 6alpha-ethyl-23(S)-methyl-cholic acid \| 6alpha-ethyl-23(s)-methyl-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid \| MS-28184 \| HY-15677 \| UNII-UTD8BCW6B8 \| 6.ALPHA.-ETHYL-23(S)-METHYLCHOLIC ACID \| Cho
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of GPBA receptor

Associated Targets(Human)

GPBAR1 Tchem G-protein coupled bile acid receptor 1 (2 Activities)

Discover Target: GPBAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 Activities)

Discover Target: GPBAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and 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
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
InChi Key	NPBCMXATLRCCLF-IRRLEISYSA-N
Canonical SMILES	CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O
Isomeric 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
PubChem CID	45483949
Molecular Weight	450.65

Database links

CAS Registry No.	1199796-29-6
PubChem CID	45483949
ChEMBL Ligand	CHEMBL567640
RCSB PDB Ligand	FX0
GPCRdb Ligand	S-EMCA

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

References

1. Pellicciari R, Gioiello A, Macchiarulo A, Thomas C, Rosatelli E, Natalini B, Sardella R, Pruzanski M, Roda A, Pastorini E et al.. (2009) Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.. J Med Chem, 52 (24): (7958-61). [PMID:20014870] [10.1021/op500134e]
2. Guo C, Chen WD, Wang YD. (2016) TGR5, Not Only a Metabolic Regulator.. Front Physiol, 7 (13): (646). [PMID:28082913] [10.1021/op500134e]
3. Li B, Yang N, Li C, Li C, Gao K, Xie X, Dong X, Yang J, Yang Q, Tong Z et al.. (2018) INT-777, a bile acid receptor agonist, extenuates pancreatic acinar cells necrosis in a mouse model of acute pancreatitis.. Biochem Biophys Res Commun, 503 (1): (38-44). [PMID:29859191] [10.1021/op500134e]

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

SKU	Size	Availability	Price	Qty
S613531-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$330.90
S613531-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,070.90

S-EMCA , CAS No.1199796-29-6, Agonist of GPBA receptor