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1073529-41-5,MFCD28053514
Catalog No.:AA01DU0Q

1073529-41-5 | 4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$192.00   $134.00
- +
10mg
≥98%
in stock  
$356.00   $249.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01DU0Q
Chemical Name:
4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER
CAS Number:
1073529-41-5
Molecular Formula:
C17H20N2O5
Molecular Weight:
332.3511
MDL Number:
MFCD28053514
SMILES:
COC(=O)N1N(C(=O)OC)C(=O)[C@@]1(C1CCCC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
525  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Literature

Title: A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity.

Journal: Nature chemical biology 20140801

Title: Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1.

Journal: Journal of medicinal chemistry 20110728

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Pusey M, et al. Inhibition of protein methylesterase 1 decreased cancerous phenotypes in endometrial adenocarcinoma cell lines and xenograft tumor models. Tumour Biol. 2016 Sep;37(9):11835-11842.

Title: Bachovchin DA, et al. Academic cross-fertilization by public screening yields a remarkable class of protein phosphatase methylesterase-1 inhibitors. Proc Natl Acad Sci U S A. 2011 Apr 26;108(17):6811-6.

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SDS
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Tags:1073529-41-5 Molecular Formula|1073529-41-5 MDL|1073529-41-5 SMILES|1073529-41-5 4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER
Catalog No.: AA01DU0Q
1073529-41-5,MFCD28053514
1073529-41-5 | 4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER
Pack Size： 1mg
Purity： ≥98%
in stock
$53.00 $37.00
Pack Size： 5mg
Purity： ≥98%
in stock
$192.00 $134.00
Pack Size： 10mg
Purity： ≥98%
in stock
$356.00 $249.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01DU0Q
Chemical Name: 4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER
CAS Number: 1073529-41-5
Molecular Formula: C17H20N2O5
Molecular Weight: 332.3511
MDL Number: MFCD28053514
SMILES: COC(=O)N1N(C(=O)OC)C(=O)[C@@]1(C1CCCC1)c1ccccc1
Properties
Complexity: 525  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Literature fold

Title: A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity.

Journal: Nature chemical biology20140801

Title: Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1.

Journal: Journal of medicinal chemistry20110728

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Pusey M, et al. Inhibition of protein methylesterase 1 decreased cancerous phenotypes in endometrial adenocarcinoma cell lines and xenograft tumor models. Tumour Biol. 2016 Sep;37(9):11835-11842.

Title: Bachovchin DA, et al. Academic cross-fertilization by public screening yields a remarkable class of protein phosphatase methylesterase-1 inhibitors. Proc Natl Acad Sci U S A. 2011 Apr 26;108(17):6811-6.

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