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94164-88-2,MFCD31619244
Catalog No.:AA01EOA1

94164-88-2 | PKM2 inhibitor(compound 3k)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$7.00   $5.00
- +
5mg
98%
in stock  
$21.00   $15.00
- +
10mg
98%
in stock  
$31.00   $22.00
- +
25mg
98%
in stock  
$51.00   $36.00
- +
50mg
98%
in stock  
$85.00   $60.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EOA1
Chemical Name:
PKM2 inhibitor(compound 3k)
CAS Number:
94164-88-2
Molecular Formula:
C18H19NO2S2
Molecular Weight:
345.4790
MDL Number:
MFCD31619244
SMILES:
S=C(N1CCCCC1)SCC1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
549  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.343-352

[1]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.343-352

Literature

Title: Reduced glutathione--a comparative study of erythrocytes from various species of marsupials in Australia.

Journal: Comparative biochemistry and physiology. A, Comparative physiology 19751201

Title: Ning X, et al. Discovery of novel naphthoquinone derivatives as inhibitors of the tumor cell specific M2 isoform of pyruvate kinase. Eur J Med Chem. 2017 Sep 29;138:343-352.

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SDS
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Tags:94164-88-2 Molecular Formula|94164-88-2 MDL|94164-88-2 SMILES|94164-88-2 PKM2 inhibitor(compound 3k)
Catalog No.: AA01EOA1
94164-88-2,MFCD31619244
94164-88-2 | PKM2 inhibitor(compound 3k)
Pack Size： 1mg
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 5mg
Purity： 98%
in stock
$21.00 $15.00
Pack Size： 10mg
Purity： 98%
in stock
$31.00 $22.00
Pack Size： 25mg
Purity： 98%
in stock
$51.00 $36.00
Pack Size： 50mg
Purity： 98%
in stock
$85.00 $60.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EOA1
Chemical Name: PKM2 inhibitor(compound 3k)
CAS Number: 94164-88-2
Molecular Formula: C18H19NO2S2
Molecular Weight: 345.4790
MDL Number: MFCD31619244
SMILES: S=C(N1CCCCC1)SCC1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity: 549  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Downstream Synthesis Route
110-89-4    75-15-0    31599-79-8    94164-88-2 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.343-352

58-27-5    94164-88-2 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.343-352

Literature fold

Title: Reduced glutathione--a comparative study of erythrocytes from various species of marsupials in Australia.

Journal: Comparative biochemistry and physiology. A, Comparative physiology19751201

Title: Ning X, et al. Discovery of novel naphthoquinone derivatives as inhibitors of the tumor cell specific M2 isoform of pyruvate kinase. Eur J Med Chem. 2017 Sep 29;138:343-352.

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