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22457-89-2,MFCD00057343
Catalog No.:AA007OE1

22457-89-2 | {[(3E)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(E)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$13.00   $9.00
- +
5g
95%
in stock  
$51.00   $36.00
- +
25g
98 - 102% (HPLC)
in stock  
$88.00   $62.00
- +
100g
98 - 102% (HPLC)
in stock  
$205.00   $144.00
- +
250g
98 - 102% (HPLC)
in stock  
$383.00   $268.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007OE1
Chemical Name:
{[(3E)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(E)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
CAS Number:
22457-89-2
Molecular Formula:
C19H23N4O6PS
Molecular Weight:
466.4479
MDL Number:
MFCD00057343
SMILES:
O=CN(C(=C(SC(=O)c1ccccc1)CCOP(=O)(O)O)C)Cc1cnc(nc1N)C
Properties
Computed Properties
 
Complexity:
697  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Patent:CN103772432,2016,B

[1]Patent:CN103724374,2016,B.Locationinpatent:Paragraph0065-0071

Literature

Title: Xu C, et al. Benfotiamine, a Lipid-Soluble Analog of Vitamin B1, Improves the Mitochondrial Biogenesis and Function in Blunt Snout Bream (Megalobrama amblycephala) Fed High-Carbohydrate Diets by Promoting the AMPK/PGC-1β/NRF-1 Axis. Front Physiol. 2018;9:1079. Published 2018 Sep 3.

Title: Schmid U, et al. Benfotiamine exhibits direct antioxidative capacity and prevents induction of DNA damage in vitro. Diabetes Metab Res Rev. 2008;24(5):371-377.

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SDS
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Tags:22457-89-2 Molecular Formula|22457-89-2 MDL|22457-89-2 SMILES|22457-89-2 {[(3E)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(E)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
Catalog No.: AA007OE1
22457-89-2,MFCD00057343
22457-89-2 | {[(3E)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(E)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
Pack Size： 250mg
Purity： 97%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 5g
Purity： 95%
in stock
$51.00 $36.00
Pack Size： 25g
Purity： 98 - 102% (HPLC)
in stock
$88.00 $62.00
Pack Size： 100g
Purity： 98 - 102% (HPLC)
in stock
$205.00 $144.00
Pack Size： 250g
Purity： 98 - 102% (HPLC)
in stock
$383.00 $268.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007OE1
Chemical Name: {[(3E)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(E)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
CAS Number: 22457-89-2
Molecular Formula: C19H23N4O6PS
Molecular Weight: 466.4479
MDL Number: MFCD00057343
SMILES: O=CN(C(=C(SC(=O)c1ccccc1)CCOP(=O)(O)O)C)Cc1cnc(nc1N)C
Properties
Complexity: 697  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 31  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Downstream Synthesis Route
59-43-8    22457-89-2 

[1]Patent:CN103772432,2016,B

67-03-8    98-88-4    22457-89-2 

[1]Patent:CN103724374,2016,B.Locationinpatent:Paragraph0065-0071

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