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5614-56-2,MFCD06655208
Catalog No.:AA00E141

5614-56-2 | 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$195.00   $137.00
- +
100mg
95%
3 weeks  
$261.00   $183.00
- +
250mg
95%
3 weeks  
$350.00   $245.00
- +
500mg
95%
3 weeks  
$518.00   $363.00
- +
1g
95%
3 weeks  
$649.00   $454.00
- +
2.5g
95%
3 weeks  
$1,177.00   $824.00
- +
5g
95%
3 weeks  
$2,059.00   $1,442.00
- +
10g
95%
3 weeks  
$3,824.00   $2,677.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00E141
Chemical Name:
2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
CAS Number:
5614-56-2
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
MDL Number:
MFCD06655208
SMILES:
OC(=O)Cn1c(=O)n(C)c2c(c1=O)n(C)cn2
Properties
Computed Properties
 
Complexity:
385  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.5  

Literature

Title: Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.

Journal: Journal of medicinal chemistry 20020523

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SDS
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Tags:5614-56-2 Molecular Formula|5614-56-2 MDL|5614-56-2 SMILES|5614-56-2 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
Catalog No.: AA00E141
5614-56-2,MFCD06655208
5614-56-2 | 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$195.00 $137.00
Pack Size： 100mg
Purity： 95%
3 weeks
$261.00 $183.00
Pack Size： 250mg
Purity： 95%
3 weeks
$350.00 $245.00
Pack Size： 500mg
Purity： 95%
3 weeks
$518.00 $363.00
Pack Size： 1g
Purity： 95%
3 weeks
$649.00 $454.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$1,177.00 $824.00
Pack Size： 5g
Purity： 95%
3 weeks
$2,059.00 $1,442.00
Pack Size： 10g
Purity： 95%
3 weeks
$3,824.00 $2,677.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00E141
Chemical Name: 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
CAS Number: 5614-56-2
Molecular Formula: C9H10N4O4
Molecular Weight: 238.2001
MDL Number: MFCD06655208
SMILES: OC(=O)Cn1c(=O)n(C)c2c(c1=O)n(C)cn2
Properties
Complexity: 385  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.5  
Literature fold

Title: Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.

Journal: Journal of medicinal chemistry20020523

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