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Chidamide

CAS No.:
743420-02-2
Catalog Number:
AG00FBIP
Molecular Formula:
C22H19FN4O2
Molecular Weight:
390.4103
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Product Description
Catalog Number:
AG00FBIP
Chemical Name:
Chidamide
CAS Number:
743420-02-2
Molecular Formula:
C22H19FN4O2
Molecular Weight:
390.4103
MDL Number:
MFCD18382123
IUPAC Name:
N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
InChI:
InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
InChI Key:
WXHHICFWKXDFOW-BJMVGYQFSA-N
SMILES:
O=C(/C=C/c1cccnc1)NCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N
UNII:
462284YV3M
Properties
Complexity:
577  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
390.149g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.418g/mol
Monoisotopic Mass:
390.149g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Chidamide, a novel histone deacetylase inhibitor, synergistically enhances gemcitabine cytotoxicity in pancreatic cancer cells. Biochemical and biophysical research communications 20130426
Increased PRAME-specific CTL killing of acute myeloid leukemia cells by either a novel histone deacetylase inhibitor chidamide alone or combined treatment with decitabine. PloS one 20130101
Phase I study of chidamide (CS055/HBI-8000), a new histone deacetylase inhibitor, in patients with advanced solid tumors and lymphomas. Cancer chemotherapy and pharmacology 20120601
Antitumor activity of Chidamide in hepatocellular carcinoma cell lines. Molecular medicine reports 20120601
CS055 (Chidamide/HBI-8000), a novel histone deacetylase inhibitor, induces G1 arrest, ROS-dependent apoptosis and differentiation in human leukaemia cells. The Biochemical journal 20120501
Chidamide (CS055/HBI-8000): a new histone deacetylase inhibitor of the benzamide class with antitumor activity and the ability to enhance immune cell-mediated tumor cell cytotoxicity. Cancer chemotherapy and pharmacology 20120401
Application of p21 and klf2 reporter gene assays to identify selective histone deacetylase inhibitors for cancer therapy. Bioorganic & medicinal chemistry letters 20110101
A novel histone deacetylase inhibitor Chidamide induces apoptosis of human colon cancer cells. Biochemical and biophysical research communications 20100205
Properties