Home Other Building Blocks Butanoic acid,(2,2-dimethyl-1-oxopropoxy)methyl ester

Butanoic acid,(2,2-dimethyl-1-oxopropoxy)methyl ester

CAS No.:
122110-53-6
Catalog Number:
AG007P7F
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
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Product Description
Catalog Number:
AG007P7F
Chemical Name:
Butanoic acid,(2,2-dimethyl-1-oxopropoxy)methyl ester
CAS Number:
122110-53-6
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
MDL Number:
MFCD00209896
IUPAC Name:
butanoyloxymethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3
InChI Key:
GYKLFBYWXZYSOW-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCOC(=O)C(C)(C)C
UNII:
55VNK5440P
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
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Histone deacetylase inhibitors: the anticancer, antimetastatic and antiangiogenic activities of AN-7 are superior to those of the clinically tested AN-9 (Pivanex). Clinical & experimental metastasis 20080101
The anticancer prodrugs of butyric acid AN-7 and AN-9, possess antiangiogenic properties. Cancer letters 20071018
Pivanex, a histone deacetylase inhibitor, induces changes in BCR-ABL expression and when combined with STI571, acts synergistically in a chronic myelocytic leukemia cell line. Leukemia research 20070801
In vivo efficacy of a novel histone deacetylase inhibitor in combination with radiation for the treatment of gliomas. Neuro-oncology 20070401
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Epigenetics of cervical cancer. An overview and therapeutic perspectives. Molecular cancer 20050101
Formaldehyde-releasing prodrugs in combination with adriamycin can overcome cellular drug resistance. Oncology research 20050101
Phase II trial of the histone deacetylase inhibitor pivaloyloxymethyl butyrate (Pivanex, AN-9) in advanced non-small cell lung cancer. Lung cancer (Amsterdam, Netherlands) 20040901
AN-9 (Titan). Current opinion in investigational drugs (London, England : 2000) 20040601
Formation of mitoxantrone adducts in human tumor cells: potentiation by AN-9 and DNA methylation. Oncology research 20040101
Sequence specificity of adriamycin-DNA adducts in human tumor cells. Molecular cancer therapeutics 20030701
Mitoxantrone mediates demethylation and reexpression of cyclin d2, estrogen receptor and 14.3.3sigma in breast cancer cells. Cancer biology & therapy 20030101
The histone deacetylase inhibitor AN-9 has selective toxicity to acute leukemia and drug-resistant primary leukemia and cancer cell lines. Blood 20021101
A phase I study of pivaloyloxymethyl butyrate, a prodrug of the differentiating agent butyric acid, in patients with advanced solid malignancies. Clinical cancer research : an official journal of the American Association for Cancer Research 20020701
Molecular basis for the synergistic interaction of adriamycin with the formaldehyde-releasing prodrug pivaloyloxymethyl butyrate (AN-9). Cancer research 20011115
Doxorubicin and a butyric acid derivative effectively reduce levels of BCL-2 protein in the cells of chronic lymphocytic leukemia patient. European journal of haematology 20010401
Esterase inhibitors diminish the modulation of gene expression by butyric acid derivative, pivaloyloxymethyl butyrate (AN-9). Israel journal of medical sciences 19961201
Properties