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86621-92-3 | 4-[2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
CAS No: 86621-92-3 Catalog No: AG004TYW MDL No:
Product Description
Catalog Number:
AG004TYW
Chemical Name:
4-[2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
CAS Number:
86621-92-3
Molecular Formula:
C22H25ClN2O2
Molecular Weight:
384.8991
IUPAC Name:
4-[2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
InChI:
InChI=1S/C22H25ClN2O2/c23-21-9-5-18(6-10-21)2-1-12-24-14-16-25(17-15-24)13-11-19-3-7-20(8-4-19)22(26)27/h1-10H,11-17H2,(H,26,27)/b2-1+
InChI Key:
YQIGCNRBMYEJID-OWOJBTEDSA-N
SMILES:
Clc1ccc(cc1)/C=C/CN1CCN(CC1)CCc1ccc(cc1)C(=O)O
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
384.16g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.904g/mol
Monoisotopic Mass:
384.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Sterol intermediates of cholesterol biosynthesis inhibit hair growth and trigger an innate immune response in cicatricial alopecia. | PloS one 20120101 |
| A specific inhibitor of cholesterol biosynthesis, BM15.766, reduces the expression of beta-secretase and the production of amyloid-beta in vitro. | Journal of neurochemistry 20070801 |
| Dermal fibroblasts pretreated with a sterol Delta7-reductase inhibitor produce 25-hydroxyvitamin D3 upon UVB irradiation. | Journal of photochemistry and photobiology. B, Biology 20061002 |
| UVB-induced 1,25(OH)2D3 production and vitamin D activity in intestinal CaCo-2 cells and in THP-1 macrophages pretreated with a sterol Delta7-reductase inhibitor. | Journal of cellular biochemistry 20060901 |
| UVB-induced production of 1,25-dihydroxyvitamin D3 and vitamin D activity in human keratinocytes pretreated with a sterol delta7-reductase inhibitor. | Journal of cellular biochemistry 20060501 |
| Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. | Journal of medicinal chemistry 20050728 |
| Gonadotropin-induced delta14-reductase and delta7-reductase gene expression in cumulus cells during meiotic resumption of porcine oocytes. | Endocrinology 20050101 |
| Influence of simvastatin, pravastatin, and BM 15.766 on neutral sterols in liver and testis of guinea pigs. | Metabolism: clinical and experimental 20020401 |
| Developmental sensitivity of associative learning to cholesterol synthesis inhibitors. | Behavioural brain research 20020201 |
| A cholesterol-lowering drug reduces beta-amyloid pathology in a transgenic mouse model of Alzheimer's disease. | Neurobiology of disease 20011001 |
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