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Pci-24781

CAS No.:
783355-60-2
Catalog Number:
AG00G3PG
Molecular Formula:
C21H23N3O5
Molecular Weight:
397.4244
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
≥95%
1 week
United States
$169
- +
10mg
98%
1 week
United States
$240
- +
25mg
≥95%
1 week
United States
$491
- +
50mg
98%
1 week
United States
$640
- +
100mg
98%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG00G3PG
Chemical Name:
Pci-24781
CAS Number:
783355-60-2
Molecular Formula:
C21H23N3O5
Molecular Weight:
397.4244
MDL Number:
MFCD10565969
IUPAC Name:
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
InChI:
InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChI Key:
MAUCONCHVWBMHK-UHFFFAOYSA-N
SMILES:
ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2
UNII:
IYO470654U
Properties
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.164g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
397.431g/mol
Monoisotopic Mass:
397.164g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
The therapeutic effect of histone deacetylase inhibitor PCI-24781 on gallbladder carcinoma in BK5.erbB2 mice. Journal of hepatology 20120701
Vorinostat in acute myeloid leukemia and myelodysplastic syndromes. Expert opinion on investigational drugs 20110201
Deactylase inhibition in myeloproliferative neoplasms. Investigational new drugs 20101201
A novel histone deacetylase inhibitor Chidamide induces apoptosis of human colon cancer cells. Biochemical and biophysical research communications 20100205
PCI-24781 induces caspase and reactive oxygen species-dependent apoptosis through NF-kappaB mechanisms and is synergistic with bortezomib in lymphoma cells. Clinical cancer research : an official journal of the American Association for Cancer Research 20090515
CRA-024781: a novel synthetic inhibitor of histone deacetylase enzymes with antitumor activity in vitro and in vivo. Molecular cancer therapeutics 20060501
Properties