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848354-66-5 | NCH 51
CAS No: 848354-66-5 Catalog No: AG0035DH MDL No:MFCD08705329
Product Description
Catalog Number:
AG0035DH
Chemical Name:
NCH 51
CAS Number:
848354-66-5
Molecular Formula:
C20H26N2O2S2
Molecular Weight:
390.5626
MDL Number:
MFCD08705329
IUPAC Name:
S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate
InChI:
InChI=1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)
InChI Key:
MDYDGUOQFUQOGE-UHFFFAOYSA-N
SMILES:
CC(C(=O)SCCCCCCC(=O)Nc1scc(n1)c1ccccc1)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.144g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.56g/mol
Monoisotopic Mass:
390.144g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Identification of a potent and stable antiproliferative agent by the prodrug formation of a thiolate histone deacetylase inhibitor. | Bioorganic & medicinal chemistry letters 20070315 |
| Novel inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates. | Journal of medicinal chemistry 20050224 |
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