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131060-14-5 | Benzenemethanamine, 3-([3,3'-bithiophen]-5-ylmethoxy)-N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-ethyl-
CAS No: 131060-14-5 Catalog No: AG000VGJ MDL No:MFCD00898838
Product Description
Catalog Number:
AG000VGJ
Chemical Name:
Benzenemethanamine, 3-([3,3'-bithiophen]-5-ylmethoxy)-N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-ethyl-
CAS Number:
131060-14-5
Molecular Formula:
C27H31NOS2
Molecular Weight:
449.6711
MDL Number:
MFCD00898838
IUPAC Name:
(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
InChI:
InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
InChI Key:
KIRGLCXNEVICOG-SOFGYWHQSA-N
SMILES:
CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)C/C=C/C#CC(C)(C)C
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
449.185g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.671g/mol
Monoisotopic Mass:
449.185g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Lipid raft localization of EGFR alters the response of cancer cells to the EGFR tyrosine kinase inhibitor gefitinib. | Journal of cellular physiology 20110901 |
| Inhibition of cholesterol biosynthesis impairs insulin secretion and voltage-gated calcium channel function in pancreatic beta-cells. | Endocrinology 20081001 |
| Synthesis and biological activity of a novel squalene epoxidase inhibitor, FR194738. | Bioorganic & medicinal chemistry letters 20040209 |
| Squalene synthase inhibitors suppress triglyceride biosynthesis through the farnesol pathway in rat hepatocytes. | Journal of lipid research 20030101 |
| [Other antihyperlipidemic drugs with novel mechanism]. | Nihon rinsho. Japanese journal of clinical medicine 20010301 |
| Sulfonamide derivatives of benzylamine block cholesterol biosynthesis in HepG2 cells: a new type of potent squalene epoxidase inhibitors. | Bioorganic & medicinal chemistry letters 19980602 |
| (Aryloxy)methylsilane derivatives as new cholesterol biosynthesis inhibitors: synthesis and hypocholesterolemic activity of a new class of squalene epoxidase inhibitors. | Journal of medicinal chemistry 19950818 |
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