sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Int-777

Int-777

CAS No.:
1199796-29-6
Catalog Number:
AG008ST3
Molecular Formula:
C27H46O5
Molecular Weight:
450.6511
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$318
- +
5mg
100%
1 week
United States
$640
- +
10mg
100%
1 week
United States
$890
- +
50mg
100%
1 week
United States
$2557
- +
100mg
100%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG008ST3
Chemical Name:
Int-777
CAS Number:
1199796-29-6
Molecular Formula:
C27H46O5
Molecular Weight:
450.6511
MDL Number:
MFCD18837028
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
SMILES:
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)[C@H](C[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)O)[C@@H](C[C@@H](C(=O)O)C)C
UNII:
UTD8BCW6B8
Properties
Complexity:
710  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
13  
Defined Bond Stereocenter Count:
0
Exact Mass:
450.335g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
450.66g/mol
Monoisotopic Mass:
450.335g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
INT-777, a bile acid receptor agonist, extenuates pancreatic acinar cells necrosis in a mouse model of acute pancreatitis. Biochemical and biophysical research communications 20180903
TGR5, Not Only a Metabolic Regulator. Frontiers in physiology 20160101
Activation of transmembrane bile acid receptor TGR5 stimulates insulin secretion in pancreatic β cells. Biochemical and biophysical research communications 20121026
TGR5 potentiates GLP-1 secretion in response to anionic exchange resins. Scientific reports 20120101
TGR5 activation inhibits atherosclerosis by reducing macrophage inflammation and lipid loading. Cell metabolism 20111207
Dual farnesoid X receptor/TGR5 agonist INT-767 reduces liver injury in the Mdr2-/- (Abcb4-/-) mouse cholangiopathy model by promoting biliary HCO⁻₃ output. Hepatology (Baltimore, Md.) 20111001
The G protein-coupled bile acid receptor, TGR5, stimulates gallbladder filling. Molecular endocrinology (Baltimore, Md.) 20110601
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. Journal of medicinal chemistry 20091224
TGR5-mediated bile acid sensing controls glucose homeostasis. Cell metabolism 20090901
Properties