Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0TC7N
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| Former ID |
DIB020669
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| Drug Name |
PENECA
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| Synonyms |
2-phenylethynyl-NECA; 2-phenylethynylNECA
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C20H20N6O4
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| Canonical SMILES |
CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)C#CC4=CC=CC=C4)N)O)O
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| InChI |
1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
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| InChIKey |
SWXXHYTUMIMRFO-KSVNGYGVSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 2-Substituted N-ethylcarboxamidoadenosine derivatives as high-affinity agonists at human A3 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1999 Aug;360(2):103-8. | |||
| REF 2 | N(6)-alkyl-2-alkynyl derivatives of adenosine as potent and selective agonists at the human adenosine A(3) receptor and a starting point for searching A(2B) ligands. J Med Chem. 2002 Jul 18;45(15):3271-9. | |||
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