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1191951-57-1 | Benzenesulfonamide, 4-dodecyl-N-1,3,4-thiadiazol-2-yl-
CAS No: 1191951-57-1 Catalog No: AG000IAU MDL No:MFCD18384970
Product Description
Catalog Number:
AG000IAU
Chemical Name:
Benzenesulfonamide, 4-dodecyl-N-1,3,4-thiadiazol-2-yl-
CAS Number:
1191951-57-1
Molecular Formula:
C20H31N3O2S2
Molecular Weight:
409.6090
MDL Number:
MFCD18384970
IUPAC Name:
4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
InChI Key:
BYWWNRBKPCPJMG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.186g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.607g/mol
Monoisotopic Mass:
409.186g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| Molecular pharmacology and antitumor activity of PHT-427, a novel Akt/phosphatidylinositide-dependent protein kinase 1 pleckstrin homology domain inhibitor. | Molecular cancer therapeutics 20100301 |
| Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. | Bioorganic & medicinal chemistry 20091001 |
| In vitro and in vivo activity of novel small-molecule inhibitors targeting the pleckstrin homology domain of protein kinase B/AKT. | Cancer research 20090615 |
| Structure, regulation and function of PKB/AKT--a major therapeutic target. | Biochimica et biophysica acta 20040311 |
| Role of Akt signaling in vascular homeostasis and angiogenesis. | Circulation research 20020628 |
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