93718-83-3,MFCD04040032
Catalog No.:AA0061EZ

93718-83-3 | 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione

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Purity
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1mg
≥98%
in stock  
$46.00   $32.00
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5mg
≥98%
in stock  
$133.00   $93.00
- +
10mg
≥98%
in stock  
$198.00   $138.00
- +
25mg
≥98%
in stock  
$488.00   $341.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0061EZ
Chemical Name:
2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
CAS Number:
93718-83-3
Molecular Formula:
C14H14O4S2
Molecular Weight:
310.3886
MDL Number:
MFCD04040032
SMILES:
OCCSC1=C(SCCO)C(=O)c2c(C1=O)cccc2
NSC Number:
95397
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
381  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Kulka,M.[CanadianJournalofChemistry,1962,vol.40,p.1235-1241]

[1]Delarmelina,Maicon;Daltoé,RenataD.;Cerri,MuriloF.;Madeira,KlesiaP.;Rangel,LeticiaB.A.;Júnior,ValdemarLacerda;Romão,Wanderson;Taranto,AlexG.;Greco,SandroJ.[JournaloftheBrazilianChemicalSociety,2015,vol.26,#9,p.1804-1816]

[2]Kulka,M.[CanadianJournalofChemistry,1962,vol.40,p.1235-1241]

Literature

Title: Antimalarial screening via large-scale purification of Plasmodium falciparum Ca2+-ATPase 6 and in vitro studies.

Journal: The FEBS journal 20131101

Title: Regulation of S100A4 expression via the JAK2-STAT3 pathway in rhomboid-phenotype pulmonary arterial smooth muscle cells exposure to hypoxia.

Journal: The international journal of biochemistry & cell biology 20120801

Title: Hypotonic stress upregulates β- and γ-ENaC expression through suppression of ERK by inducing MKP-1.

Journal: American journal of physiology. Renal physiology 20120715

Title: Cysteine 81 is critical for the interaction of S100A4 and myosin-IIA.

Journal: Biochemistry 20110823

Title: Using small molecules to target protein phosphatases.

Journal: Bioorganic & medicinal chemistry 20110401

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: The cytotoxic agents NSC-95397, brefeldin A, bortezomib and sanguinarine induce apoptosis in neuroendocrine tumors in vitro.

Journal: Anticancer research 20100101

Title: Combination analyses of anti-cancer drugs on human neuroendocrine tumor cell lines.

Journal: Cancer chemotherapy and pharmacology 20091201

Title: Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Journal: Nature chemical biology 20091001

Title: Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties.

Journal: Bioorganic & medicinal chemistry 20081001

Title: Nanosecond molecular dynamics simulations of Cdc25B and its complex with a 1,4-naphthoquinone inhibitor: implications for rational inhibitor design.

Journal: Journal of molecular graphics & modelling 20080801

Title: A cell-active inhibitor of mitogen-activated protein kinase phosphatases restores paclitaxel-induced apoptosis in dexamethasone-protected cancer cells.

Journal: Molecular cancer therapeutics 20080201

Title: Fluorinated NSC as a Cdc25 inhibitor.

Journal: Bioorganic & medicinal chemistry letters 20070415

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: The when and wheres of CDC25 phosphatases.

Journal: Current opinion in cell biology 20060401

Title: Novel hydroxyl naphthoquinones with potent Cdc25 antagonizing and growth inhibitory properties.

Journal: Molecular cancer therapeutics 20050401

Title: Quinone-induced Cdc25A inhibition causes ERK-dependent connexin phosphorylation.

Journal: Biochemical and biophysical research communications 20050225

Title: Targeting the neighbor's pool.

Journal: Molecular pharmacology 20041001

Title: NAD(P)H:quinone oxidoreductase-1-dependent and -independent cytotoxicity of potent quinone Cdc25 phosphatase inhibitors.

Journal: The Journal of pharmacology and experimental therapeutics 20040401

Title: Activation of the Raf-1/MEK/Erk kinase pathway by a novel Cdc25 inhibitor in human prostate cancer cells.

Journal: The Prostate 20040101

Title: Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.

Journal: The Journal of biological chemistry 20020419

Title: Identification of a potent and selective pharmacophore for Cdc25 dual specificity phosphatase inhibitors.

Journal: Molecular pharmacology 20020401

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SDS
Tags:93718-83-3 Molecular Formula|93718-83-3 MDL|93718-83-3 SMILES|93718-83-3 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
Catalog No.: AA0061EZ
93718-83-3,MFCD04040032
93718-83-3 | 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
Pack Size: 1mg
Purity: ≥98%
in stock
$46.00 $32.00
Pack Size: 5mg
Purity: ≥98%
in stock
$133.00 $93.00
Pack Size: 10mg
Purity: ≥98%
in stock
$198.00 $138.00
Pack Size: 25mg
Purity: ≥98%
in stock
$488.00 $341.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0061EZ
Chemical Name: 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
CAS Number: 93718-83-3
Molecular Formula: C14H14O4S2
Molecular Weight: 310.3886
MDL Number: MFCD04040032
SMILES: OCCSC1=C(SCCO)C(=O)c2c(C1=O)cccc2
NSC Number: 95397
Properties
Form: Solid  
Complexity: 381  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Downstream Synthesis Route
93718-83-3    93006-12-3 

[1]Kulka,M.[CanadianJournalofChemistry,1962,vol.40,p.1235-1241]

117-80-6    60-24-2    93718-83-3 

[1]Delarmelina,Maicon;Daltoé,RenataD.;Cerri,MuriloF.;Madeira,KlesiaP.;Rangel,LeticiaB.A.;Júnior,ValdemarLacerda;Romão,Wanderson;Taranto,AlexG.;Greco,SandroJ.[JournaloftheBrazilianChemicalSociety,2015,vol.26,#9,p.1804-1816]

[2]Kulka,M.[CanadianJournalofChemistry,1962,vol.40,p.1235-1241]

Literature fold

Title: Antimalarial screening via large-scale purification of Plasmodium falciparum Ca2+-ATPase 6 and in vitro studies.

Journal: The FEBS journal20131101

Title: Regulation of S100A4 expression via the JAK2-STAT3 pathway in rhomboid-phenotype pulmonary arterial smooth muscle cells exposure to hypoxia.

Journal: The international journal of biochemistry & cell biology20120801

Title: Hypotonic stress upregulates β- and γ-ENaC expression through suppression of ERK by inducing MKP-1.

Journal: American journal of physiology. Renal physiology20120715

Title: Cysteine 81 is critical for the interaction of S100A4 and myosin-IIA.

Journal: Biochemistry20110823

Title: Using small molecules to target protein phosphatases.

Journal: Bioorganic & medicinal chemistry20110401

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: The cytotoxic agents NSC-95397, brefeldin A, bortezomib and sanguinarine induce apoptosis in neuroendocrine tumors in vitro.

Journal: Anticancer research20100101

Title: Combination analyses of anti-cancer drugs on human neuroendocrine tumor cell lines.

Journal: Cancer chemotherapy and pharmacology20091201

Title: Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Journal: Nature chemical biology20091001

Title: Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties.

Journal: Bioorganic & medicinal chemistry20081001

Title: Nanosecond molecular dynamics simulations of Cdc25B and its complex with a 1,4-naphthoquinone inhibitor: implications for rational inhibitor design.

Journal: Journal of molecular graphics & modelling20080801

Title: A cell-active inhibitor of mitogen-activated protein kinase phosphatases restores paclitaxel-induced apoptosis in dexamethasone-protected cancer cells.

Journal: Molecular cancer therapeutics20080201

Title: Fluorinated NSC as a Cdc25 inhibitor.

Journal: Bioorganic & medicinal chemistry letters20070415

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: The when and wheres of CDC25 phosphatases.

Journal: Current opinion in cell biology20060401

Title: Novel hydroxyl naphthoquinones with potent Cdc25 antagonizing and growth inhibitory properties.

Journal: Molecular cancer therapeutics20050401

Title: Quinone-induced Cdc25A inhibition causes ERK-dependent connexin phosphorylation.

Journal: Biochemical and biophysical research communications20050225

Title: Targeting the neighbor's pool.

Journal: Molecular pharmacology20041001

Title: NAD(P)H:quinone oxidoreductase-1-dependent and -independent cytotoxicity of potent quinone Cdc25 phosphatase inhibitors.

Journal: The Journal of pharmacology and experimental therapeutics20040401

Title: Activation of the Raf-1/MEK/Erk kinase pathway by a novel Cdc25 inhibitor in human prostate cancer cells.

Journal: The Prostate20040101

Title: Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.

Journal: The Journal of biological chemistry20020419

Title: Identification of a potent and selective pharmacophore for Cdc25 dual specificity phosphatase inhibitors.

Journal: Molecular pharmacology20020401

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