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1024033-43-9 | 3-Piperidineacetic acid, 1-[5-[(cyclohexylamino)carbonyl]-6-(propylthio)-2-pyridinyl]-, (3S)-
CAS No: 1024033-43-9 Catalog No: AG0007CW MDL No:
Product Description
Catalog Number:
AG0007CW
Chemical Name:
3-Piperidineacetic acid, 1-[5-[(cyclohexylamino)carbonyl]-6-(propylthio)-2-pyridinyl]-, (3S)-
CAS Number:
1024033-43-9
Molecular Formula:
C22H33N3O3S
Molecular Weight:
419.5807
IUPAC Name:
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid
InChI:
InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1
InChI Key:
NCDZABJPWMBMIQ-INIZCTEOSA-N
SMILES:
CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@H](C1)CC(=O)O
UNII:
3JL137394Y
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
419.224g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.584g/mol
Monoisotopic Mass:
419.224g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017). | Journal of medicinal chemistry 20120628 |
| Glucocorticoids and cardiovascular disease. | European journal of endocrinology 20071101 |
| Glucocorticoids and 11beta-hydroxysteroid dehydrogenase type 1 in obesity and the metabolic syndrome. | Minerva endocrinologica 20070901 |
| The metabolic syndrome. | Lancet (London, England) 20050401 |
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