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CUDC-101

CAS No.:
1012054-59-9
Catalog Number:
AG0003Y9
Molecular Formula:
C24H26N4O4
Molecular Weight:
434.4876
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$87
- +
10mg
98%(HPLC)
In Stock USA
United States
$141
- +
25mg
98%(HPLC)
In Stock USA
United States
$228
- +
100mg
98%(HPLC)
In Stock USA
United States
$568
- +
Product Description
Catalog Number:
AG0003Y9
Chemical Name:
CUDC-101
CAS Number:
1012054-59-9
Molecular Formula:
C24H26N4O4
Molecular Weight:
434.4876
MDL Number:
MFCD15528940
IUPAC Name:
7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
InChI:
InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
InChI Key:
PLIVFNIUGLLCEK-UHFFFAOYSA-N
SMILES:
ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C
UNII:
1A7Y9MP123
Properties
Complexity:
624  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.195g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
434.496g/mol
Monoisotopic Mass:
434.195g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
A Phase I Study of CUDC-101, a Multitarget Inhibitor of HDACs, EGFR, and HER2, in Combination with Chemoradiation in Patients with Head and Neck Squamous Cell Carcinoma. Clinical cancer research : an official journal of the American Association for Cancer Research 20150401
Phase I first-in-human study of CUDC-101, a multitargeted inhibitor of HDACs, EGFR, and HER2 in patients with advanced solid tumors. Clinical cancer research : an official journal of the American Association for Cancer Research 20141001
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Cancer network disruption by a single molecule inhibitor targeting both histone deacetylase activity and phosphatidylinositol 3-kinase signaling. Clinical cancer research : an official journal of the American Association for Cancer Research 20120801
Multi-targeted hybrids based on HDAC inhibitors for anti-cancer drug discovery. Archives of pharmacal research 20120201
Anti-tumour activity of afatinib, an irreversible ErbB family blocker, in human pancreatic tumour cells. British journal of cancer 20111108
Manipulating protein acetylation in breast cancer: a promising approach in combination with hormonal therapies? Journal of biomedicine & biotechnology 20110101
CUDC-101, a multitargeted inhibitor of histone deacetylase, epidermal growth factor receptor, and human epidermal growth factor receptor 2, exerts potent anticancer activity. Cancer research 20100501
Discovery of 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide (CUDc-101) as a potent multi-acting HDAC, EGFR, and HER2 inhibitor for the treatment of cancer. Journal of medicinal chemistry 20100311
Properties