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1012054-59-9,MFCD15528940
Catalog No.:AA0003VH
1012054-59-9 | CUDC-101
Pack Size
Purity
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1mg
98+%
in stock  
$9.00   $7.00
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5mg
98+%
in stock  
$22.00   $16.00
- +
10mg
98+%
in stock  
$33.00   $23.00
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1g
95%
in stock  
$2,470.00   $1,729.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0003VH
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
Computed 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  

Synonyms
 
7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide 
CUDC 101 
7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide 
CHEMBL598797 
1A7Y9MP123 
AK174946 
7-((4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide 
7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide 
7-((4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide 
PubChem19149 
CUDC-101, Free Base 
SCHEMBL93769 
CUDC-101 
MLS006010163 
GTPL8894 
AOB6495 
DTXSID00143784 
EX-A842 
QCR-203 
CUDC101, CUDC-101 
HMS3654C20 
BCP01935 
KS-00000T5B 
CUDC101 
ABP000148 
BDBM50307768 
MFCD15528940 
s1194 
ZINC43196377 
AKOS022526176 
BCP9000556 
compound 8 [PMID: 20143778] 
DB12174 
RL00075 
CUDC-101 
SB19287 
NCGC00263177-01 
NCGC00263177-05 
AC-28428 
AS-16955 
BC659998 
HY-10223 
SMR004701272 
AB0033785 
FT-0665231 
1012054-59-9 
SW219934-1 
X7526 
A10246 
W-5598 
J-000340 
J-519062 
7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide 
Heptanamide, 7-[[4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-hydroxy- 
1313875-12-5 
D0Z4RC 
CUDC 101 
C24H26N4O4 
CS-0038 
A4092 
7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide;HeptanaMide 
CUDC101 
7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide 
UNII-1A7Y9MP123 
Literature

Title: 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.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20150401

Title: Phase I first-in-human study of CUDC-101, a multitargeted inhibitor of HDACs, EGFR, and HER2 in patients with advanced solid tumors.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20141001

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Cancer network disruption by a single molecule inhibitor targeting both histone deacetylase activity and phosphatidylinositol 3-kinase signaling.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20120801

Title: Multi-targeted hybrids based on HDAC inhibitors for anti-cancer drug discovery.

Journal: Archives of pharmacal research 20120201

Title: Anti-tumour activity of afatinib, an irreversible ErbB family blocker, in human pancreatic tumour cells.

Journal: British journal of cancer 20111108

Title: Manipulating protein acetylation in breast cancer: a promising approach in combination with hormonal therapies?

Journal: Journal of biomedicine & biotechnology 20110101

Title: CUDC-101, a multitargeted inhibitor of histone deacetylase, epidermal growth factor receptor, and human epidermal growth factor receptor 2, exerts potent anticancer activity.

Journal: Cancer research 20100501

Title: 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: Journal of medicinal chemistry 20100311

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