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Home Sulfos S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl) ethanethioate

S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl) ethanethioate

CAS No.:
940943-37-3
Catalog Number:
AG00352M
Molecular Formula:
C20H25N3O5S2
Molecular Weight:
451.5596
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$187
- +
10mg
≥98%
1 week
United States
$248
- +
25mg
≥98%
1 week
United States
$491
- +
Product Description
Catalog Number:
AG00352M
Chemical Name:
S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl) ethanethioate
CAS Number:
940943-37-3
Molecular Formula:
C20H25N3O5S2
Molecular Weight:
451.5596
MDL Number:
MFCD19690928
IUPAC Name:
S-[2-[6-[[4-[3-(dimethylamino)propoxy]phenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate
InChI:
InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
InChI Key:
KXWBUKMWZKTHCV-UHFFFAOYSA-N
SMILES:
CN(CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(=O)C)C
UNII:
26UQK478QL
Properties
Complexity:
658  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.124g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
451.556g/mol
Monoisotopic Mass:
451.124g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
KD5170, a novel mercaptoketone-based histone deacetylase inhibitor, exerts antimyeloma effects by DNA damage and mitochondrial signaling. Molecular cancer therapeutics 20080601
KD5170, a novel mercaptoketone-based histone deacetylase inhibitor that exhibits broad spectrum antitumor activity in vitro and in vivo. Molecular cancer therapeutics 20080501
Properties