Introduction：Basic information about CAS 1061747-72-5|TC-G 1004, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | TC-G 1004 |
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| CAS Number | 1061747-72-5 | Molecular Weight | 421.49500 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C22H27N7O2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | N-{2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl )-2-pyridinyl]-4-pyrimidinyl}acetamide |
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| Synonym | More Synonyms |
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TC-G 1004 BiologicalActivity
| Description | TC-G 1004 (compound 16j) is an orally active A2A adenosine receptor antagonist, with Ki values of 0.44 nM and 80 nM for hA2A and hA1, respectively[1]. |
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| Related Catalog | Research Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>Adenosine Receptor |
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| Target | Ki: 0.44 nM (hA2A), 80 nM (hA1)[1]. |
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| In Vitro | TC-G 1004 (compound 16j) is a highly potent A2A antagonist at both the human and rat receptors with greater than 100× selectivity over hA1[1]. |
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| In Vivo | TC-G 1004 (compound 16j, 3 mg/kg) displays good in vivo oral activity in rat models for Parkinson’s disease and were advanced to preclinical development[1]. TC-G 1004 (compound 16j) dose-dependently potentiates L-dopa induced rotations with an MED of 3 mg/kg when dosed orally[1]. |
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| References | [1]. Xiaohu Zhang, et al. Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease. J Med Chem. 2008 Nov 27;51(22):7099-110. |
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Chemical & Physical Properties
| Molecular Formula | C22H27N7O2 |
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| Molecular Weight | 421.49500 |
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| Exact Mass | 421.22300 |
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| PSA | 101.55000 |
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| LogP | 3.62920 |
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| InChIKey | JENSDTKXNVHSSN-UHFFFAOYSA-N |
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| SMILES | COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1 |
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Synonyms
