252979-43-4,MFCD05662192
Catalog No.:AA00C2RE

252979-43-4 | MRE 3008-F20

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95%
1 week  
$131.00   $92.00
- +
5mg
95%
1 week  
$235.00   $164.00
- +
10mg
95%
1 week  
$318.00   $223.00
- +
25mg
95%
1 week  
$501.00   $351.00
- +
50mg
95%
1 week  
$780.00   $546.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C2RE
Chemical Name:
MRE 3008-F20
CAS Number:
252979-43-4
Molecular Formula:
C21H20N8O3
Molecular Weight:
432.4353
MDL Number:
MFCD05662192
SMILES:
CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC
Properties
Computed Properties
 
Complexity:
649  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Literature

Title: Water-soluble pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines as human A₃ adenosine receptor antagonists.

Journal: Journal of medicinal chemistry 20120614

Title: Pyrrolo- and pyrazolo-[3,4-e][1,2,4]triazolo[1,5-c]pyrimidines as adenosine receptor antagonists.

Journal: Bioorganic & medicinal chemistry 20120115

Title: New 2-heterocyclyl-imidazo[2,1-i]purin-5-one derivatives as potent and selective human A3 adenosine receptor antagonists.

Journal: Journal of medicinal chemistry 20110728

Title: QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives with human adenosine A(3) receptor subtype.

Journal: Bioorganic & medicinal chemistry letters 20110115

Title: Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites.

Journal: Bioorganic & medicinal chemistry 20090715

Title: Docking studies of agonists and antagonists suggest an activation pathway of the A3 adenosine receptor.

Journal: Journal of molecular graphics & modelling 20061201

Title: Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models.

Journal: Journal of medicinal chemistry 20060713

Title: Adenosine modulates vascular endothelial growth factor expression via hypoxia-inducible factor-1 in human glioblastoma cells.

Journal: Biochemical pharmacology 20060628

Title: Adenosine receptors as therapeutic targets.

Journal: Nature reviews. Drug discovery 20060301

Title: Pharmacological characterization of novel adenosine ligands in recombinant and native human A2B receptors.

Journal: Biochemical pharmacology 20051125

Title: Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study.

Journal: Journal of medicinal chemistry 20050113

Title: 1,2,4-Triazolo[5,1-i]purine derivatives as highly potent and selective human adenosine A(3) receptor ligands.

Journal: Journal of medicinal chemistry 20020815

Title: Synthesis, biological activity, and molecular modeling investigation of new pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as human A(3) adenosine receptor antagonists.

Journal: Journal of medicinal chemistry 20020214

Title: A(3) adenosine receptors in human neutrophils and promyelocytic HL60 cells: a pharmacological and biochemical study.

Journal: Molecular pharmacology 20020201

Title: Binding thermodynamics at the human A(3) adenosine receptor.

Journal: Biochemical pharmacology 20020115

Title: Pharmacological and biochemical characterization of adenosine receptors in the human malignant melanoma A375 cell line.

Journal: British journal of pharmacology 20011101

Title: Pharmacological and biochemical characterization of A3 adenosine receptors in Jurkat T cells.

Journal: British journal of pharmacology 20010901

Title: Fluorosulfonyl- and bis-(beta-chloroethyl)amino-phenylamino functionalized pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives: irreversible antagonists at the human A3 adenosine receptor and molecular modeling studies.

Journal: Journal of medicinal chemistry 20010816

Title: [(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors.

Journal: Molecular pharmacology 20000501

Title: Synthesis and preliminary biological evaluation of [3H]-MRE 3008-F20: the first high affinity radioligand antagonist for the human A3 adenosine receptors.

Journal: Bioorganic & medicinal chemistry letters 20000207

Title: Gessi S, et al. Expression of A3 adenosine receptors in human lymphocytes: up-regulation in T cell activation. Mol Pharmacol. 2004 Mar;65(3):711-9.

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Tags:252979-43-4 Molecular Formula|252979-43-4 MDL|252979-43-4 SMILES|252979-43-4 MRE 3008-F20
Catalog No.: AA00C2RE
252979-43-4,MFCD05662192
252979-43-4 | MRE 3008-F20
Pack Size: 1mg
Purity: 95%
1 week
$131.00 $92.00
Pack Size: 5mg
Purity: 95%
1 week
$235.00 $164.00
Pack Size: 10mg
Purity: 95%
1 week
$318.00 $223.00
Pack Size: 25mg
Purity: 95%
1 week
$501.00 $351.00
Pack Size: 50mg
Purity: 95%
1 week
$780.00 $546.00
Quantity
- +
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Technical Information
Catalog Number: AA00C2RE
Chemical Name: MRE 3008-F20
CAS Number: 252979-43-4
Molecular Formula: C21H20N8O3
Molecular Weight: 432.4353
MDL Number: MFCD05662192
SMILES: CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC
Properties
Complexity: 649  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Literature fold

Title: Water-soluble pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines as human A₃ adenosine receptor antagonists.

Journal: Journal of medicinal chemistry20120614

Title: Pyrrolo- and pyrazolo-[3,4-e][1,2,4]triazolo[1,5-c]pyrimidines as adenosine receptor antagonists.

Journal: Bioorganic & medicinal chemistry20120115

Title: New 2-heterocyclyl-imidazo[2,1-i]purin-5-one derivatives as potent and selective human A3 adenosine receptor antagonists.

Journal: Journal of medicinal chemistry20110728

Title: QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives with human adenosine A(3) receptor subtype.

Journal: Bioorganic & medicinal chemistry letters20110115

Title: Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites.

Journal: Bioorganic & medicinal chemistry20090715

Title: Docking studies of agonists and antagonists suggest an activation pathway of the A3 adenosine receptor.

Journal: Journal of molecular graphics & modelling20061201

Title: Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models.

Journal: Journal of medicinal chemistry20060713

Title: Adenosine modulates vascular endothelial growth factor expression via hypoxia-inducible factor-1 in human glioblastoma cells.

Journal: Biochemical pharmacology20060628

Title: Adenosine receptors as therapeutic targets.

Journal: Nature reviews. Drug discovery20060301

Title: Pharmacological characterization of novel adenosine ligands in recombinant and native human A2B receptors.

Journal: Biochemical pharmacology20051125

Title: Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study.

Journal: Journal of medicinal chemistry20050113

Title: 1,2,4-Triazolo[5,1-i]purine derivatives as highly potent and selective human adenosine A(3) receptor ligands.

Journal: Journal of medicinal chemistry20020815

Title: Synthesis, biological activity, and molecular modeling investigation of new pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as human A(3) adenosine receptor antagonists.

Journal: Journal of medicinal chemistry20020214

Title: A(3) adenosine receptors in human neutrophils and promyelocytic HL60 cells: a pharmacological and biochemical study.

Journal: Molecular pharmacology20020201

Title: Binding thermodynamics at the human A(3) adenosine receptor.

Journal: Biochemical pharmacology20020115

Title: Pharmacological and biochemical characterization of adenosine receptors in the human malignant melanoma A375 cell line.

Journal: British journal of pharmacology20011101

Title: Pharmacological and biochemical characterization of A3 adenosine receptors in Jurkat T cells.

Journal: British journal of pharmacology20010901

Title: Fluorosulfonyl- and bis-(beta-chloroethyl)amino-phenylamino functionalized pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives: irreversible antagonists at the human A3 adenosine receptor and molecular modeling studies.

Journal: Journal of medicinal chemistry20010816

Title: [(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors.

Journal: Molecular pharmacology20000501

Title: Synthesis and preliminary biological evaluation of [3H]-MRE 3008-F20: the first high affinity radioligand antagonist for the human A3 adenosine receptors.

Journal: Bioorganic & medicinal chemistry letters20000207

Title: Gessi S, et al. Expression of A3 adenosine receptors in human lymphocytes: up-regulation in T cell activation. Mol Pharmacol. 2004 Mar;65(3):711-9.

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