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1000413-72-8 | 3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3S)-
CAS No: 1000413-72-8 Catalog No: AG0000MM MDL No:MFCD18251445
Product Description
Catalog Number:
AG0000MM
Chemical Name:
3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3S)-
CAS Number:
1000413-72-8
Molecular Formula:
C29H32O7S
Molecular Weight:
524.6252
MDL Number:
MFCD18251445
IUPAC Name:
2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
InChI:
InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
InChI Key:
BZCALJIHZVNMGJ-HSZRJFAPSA-N
SMILES:
OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C
UNII:
GLP1W4JXAH
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
524.187g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
524.628g/mol
Monoisotopic Mass:
524.187g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Fasiglifam (TAK-875): Mechanistic Investigation and Retrospective Identification of Hazards for Drug Induced Liver Injury. | Toxicological sciences : an official journal of the Society of Toxicology 20180601 |
| Fasiglifam (TAK-875) Alters Bile Acid Homeostasis in Rats and Dogs: A Potential Cause of Drug Induced Liver Injury. | Toxicological sciences : an official journal of the Society of Toxicology 20170501 |
| Development and Characterization of a Potent Free Fatty Acid Receptor 1 (FFA1) Fluorescent Tracer. | Journal of medicinal chemistry 20160526 |
| Efficacy and safety of fasiglifam (TAK-875), a G protein-coupled receptor 40 agonist, in Japanese patients with type 2 diabetes inadequately controlled by diet and exercise: a randomized, double-blind, placebo-controlled, phase III trial. | Diabetes, obesity & metabolism 20150701 |
| High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875. | Nature 20140904 |
| A novel antidiabetic drug, fasiglifam/TAK-875, acts as an ago-allosteric modulator of FFAR1. | PloS one 20130101 |
| Safety, tolerability, pharmacokinetics, and pharmacodynamic properties of the GPR40 agonist TAK-875: results from a double-blind, placebo-controlled single oral dose rising study in healthy volunteers. | Journal of clinical pharmacology 20120701 |
| A multiple-ascending-dose study to evaluate safety, pharmacokinetics, and pharmacodynamics of a novel GPR40 agonist, TAK-875, in subjects with type 2 diabetes. | Clinical pharmacology and therapeutics 20120701 |
| Optimization of (2,3-dihydro-1-benzofuran-3-yl)acetic acids: discovery of a non-free fatty acid-like, highly bioavailable G protein-coupled receptor 40/free fatty acid receptor 1 agonist as a glucose-dependent insulinotropic agent. | Journal of medicinal chemistry 20120426 |
| Could FFAR1 assist insulin secretion in type 2 diabetes? | Lancet (London, England) 20120414 |
| TAK-875 versus placebo or glimepiride in type 2 diabetes mellitus: a phase 2, randomised, double-blind, placebo-controlled trial. | Lancet (London, England) 20120414 |
| GPR40-induced insulin secretion by the novel agonist TAK-875: first clinical findings in patients with type 2 diabetes. | Diabetes, obesity & metabolism 20120301 |
| The effects of TAK-875, a selective G protein-coupled receptor 40/free fatty acid 1 agonist, on insulin and glucagon secretion in isolated rat and human islets. | The Journal of pharmacology and experimental therapeutics 20120201 |
| Identification of a potent and selective free fatty acid receptor 1 (FFA1/GPR40) agonist with favorable physicochemical and in vitro ADME properties. | Journal of medicinal chemistry 20111013 |
| TAK-875, an orally available G protein-coupled receptor 40/free fatty acid receptor 1 agonist, enhances glucose-dependent insulin secretion and improves both postprandial and fasting hyperglycemia in type 2 diabetic rats. | The Journal of pharmacology and experimental therapeutics 20111001 |
| Discovery of TAK-875: A Potent, Selective, and Orally Bioavailable GPR40 Agonist. | ACS medicinal chemistry letters 20100909 |
| Free fatty acids regulate insulin secretion from pancreatic beta cells through GPR40. | Nature 20030313 |
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