Home Amines 13860-66-7
13860-66-7,MFCD26142554
Catalog No.:AA0018RK

13860-66-7 | Thiazolium, 3-[(2-amino-6-methyl-3-pyridinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)

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Purity
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1mg
98%
1 week  
$105.00   $73.00
- +
5mg
99%
1 week  
$257.00   $180.00
- +
10mg
99%
1 week  
$400.00   $280.00
- +
50mg
99%
1 week  
$1,130.00   $791.00
- +
100mg
99%
1 week  
$1,765.00   $1,235.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0018RK
Chemical Name:
Thiazolium, 3-[(2-amino-6-methyl-3-pyridinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
CAS Number:
13860-66-7
Molecular Formula:
C13H19Cl2N3OS
Molecular Weight:
336.2805
MDL Number:
MFCD26142554
SMILES:
OCCc1sc[n+](c1C)Cc1ccc(nc1N)C.Cl.[Cl-]
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
3  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  

Downstream Synthesis Route
137-00-8   
3-(chloromethyl)-6-methylpyridin-2-ylaminehydrochloride 
  13860-66-7 

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.2206-2210

[2]Patent:WO2005/95344,2005,A1.Locationinpatent:Page/Pagecolumn37

[3]ChemischeBerichte,1953,vol.86,p.461,464

1-(3-chloro-2-hydroxy-2-methyl-tetrahydro-3furyl)-ethanone 
  13860-66-7 

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1944,vol.64,p.145,150    Chem.Abstr.,1951,p.4724

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1944,vol.64,p.145,150    Chem.Abstr.,1951,p.4724

[1]ChemicalandPharmaceuticalBulletin,1973,vol.21,p.770-784

Literature

Title: Thomas AA, et al. Synthesis, in vitro and in vivo activity of thiamine antagonist transketolase inhibitors. Bioorg Med Chem Lett. 2008 Mar 15;18(6):2206-10. 

Title: Jeno Gyuris, May Han, Ronan C, N3-pyridyl-thiamine and its use in cancer treatments. Patent Numeber: WO2005094803 A2

Title: Allen A. Thomas, Josh Ballard, Bryan Bernat. Potent and Selective Thiamine AntagonistsThat Inhibit Transketolase.

Title: Thomas AA, De Meese J, Le Huerou Y, Non-charged thiamine analogs as inhibitors of enzyme transketolase. Bioorg Med Chem Lett. 2008 Jan 15;18(2):509-12.

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Tags:13860-66-7 Molecular Formula|13860-66-7 MDL|13860-66-7 SMILES|13860-66-7 Thiazolium, 3-[(2-amino-6-methyl-3-pyridinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)