Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H9BP
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| Former ID |
DIB021228
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| Drug Name |
xanthine amine congener
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| Synonyms |
N-(2-Aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide; Xanthine amine congener; 96865-92-8; Papaxac; XAC; CHEMBL273094; 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine; n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide; N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide; Xanthine amine congener xac; 8-[4-[[[[(2-Aminoethyl)amino]carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine; [3H]xanthine amine congener; [3H]XAC; papaxac
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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 |
C21H28N6O4
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| Canonical SMILES |
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN
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| InChI |
1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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| InChIKey |
FIQGIOAELHTLHM-UHFFFAOYSA-N
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| CAS Number |
CAS 96865-92-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
5455855, 7980895, 8153492, 11111969, 14832106, 17405833, 24277745, 29224734, 47217013, 47359839, 47440501, 47805486, 47811001, 50107234, 50107235, 52225234, 53778385, 57322898, 85090417, 85209664, 85231286, 90340726, 92303217, 103579012, 103831832, 104309992, 117540046, 124750378, 124881826, 125165329, 127852773, 134224386, 135080024, 135651217, 135651329, 137014787, 138080078, 139569057, 162091057, 163138682, 163565233, 179151484, 227255507, 245019684, 250129973
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| References | Top | |||
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| 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: 432). | |||
| 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: 404). | |||
| REF 3 | Species difference in the G protein selectivity of the human and bovine A1-adenosine receptor. J Biol Chem. 1994 Dec 23;269(51):32077-84. | |||
| REF 4 | Use of the triazolotriazine [3H]ZM 241385 as a radioligand at recombinant human A2B adenosine receptors. Drug Des Discov. 1999 Nov;16(3):217-26. | |||
| REF 5 | Site-directed mutagenesis identifies residues involved in ligand recognition in the human A2a adenosine receptor. J Biol Chem. 1995 Jun 9;270(23):13987-97. | |||
| REF 6 | [(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors. Mol Pharmacol. 2000 May;57(5):968-75. | |||
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