Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K8ZZ
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| Former ID |
DIB018354
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| Drug Name |
[3H]NECA
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| Synonyms |
5'-N-Ethylcarboxamidoadenosine; NECA; 35920-39-9; Adenosine-5'-(N-ethylcarboxamide); N-ethyl-5'-carboxamidoadenosine; 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide; N-ETHYL-5'-CARBOXAMIDO ADENOSINE; MLS000069759; CHEMBL464859; CHEBI:73284; 5'-N-ETHYLCARBOXAMIDO-ADENOSINE; SMR000058759; N-Ethylcarboxamidoadenosine; 5'-N(Sup 6)-Ethylcarboxamidoadenosine; (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide; [3H]adenosine-5'-(N-ethylcarboxamide)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C12H16N6O4
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| Canonical SMILES |
CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
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| InChI |
1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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| InChIKey |
JADDQZYHOWSFJD-FLNNQWSLSA-N
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| CAS Number |
CAS 35920-39-9
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| PubChem Compound ID | ||||
| PubChem Substance ID |
831348, 833152, 6436257, 7889349, 7980100, 10300190, 11532956, 12012601, 14849888, 24263019, 26752231, 26752232, 36890147, 46393043, 49689293, 50104936, 53789671, 56463209, 71826089, 74667278, 90341085, 103601612, 104639154, 121360337, 124801005, 128245462, 134340785, 135061485, 135650706, 135651187, 135697884, 162169163, 162226946, 164841257, 170481837, 179350351, 224274871, 241375582, 242081484, 249617374, 252156038, 252342800, 252420421
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| ChEBI ID |
CHEBI:73284
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 425). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 377). | |||
| REF 3 | Adenosine receptor agonists: synthesis and biological evaluation of 1-deaza analogues of adenosine derivatives. J Med Chem. 1988 Jun;31(6):1179-83. | |||
| REF 4 | Comparative pharmacology of human adenosine receptor subtypes - characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 1998 Jan;357(1):1-9. | |||
| REF 5 | Inhibition of human mast cell activation with the novel selective adenosine A(2B) receptor antagonist 3-isobutyl-8-pyrrolidinoxanthine (IPDX)(2). Biochem Pharmacol. 2001 Nov 1;62(9):1163-73. | |||
| REF 6 | 5'-N-substituted carboxamidoadenosines as agonists for adenosine receptors. J Med Chem. 1999 Apr 22;42(8):1384-92. | |||
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