Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R6MT
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| Former ID |
DIB020081
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| Drug Name |
isobutylmethylxanthine
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| Synonyms |
3-Isobutyl-1-methylxanthine; IBMX; 28822-58-4; 1-METHYL-3-ISOBUTYLXANTHINE; Methylisobutylxanthine; 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione; Xanthine, 3-isobutyl-1-methyl-; 3-Isobutyl-1-methyxanthine; 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-; Methyl-isobutylxanthine; 3-isobutyl-1-methylxanthine (ibmx); UNII-TBT296U68M; 3-Isobutyl 1-methylxanthine; NSC 165960; CCRIS 4290; CHEBI:34795; 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione; 3-isobutyl-1-methyl-7H-xanthine; methylisobutylxanthine; 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione; 3-ISOBUTYL-1-METHYLXANTHINE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2], [3] | |
| Structure |
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Download2D MOL |
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| Formula |
C10H14N4O2
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| Canonical SMILES |
CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
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| InChI |
1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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| InChIKey |
APIXJSLKIYYUKG-UHFFFAOYSA-N
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| CAS Number |
CAS 28822-58-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
440021, 586297, 603446, 831838, 3139713, 4667750, 4667751, 6436339, 7888298, 7980296, 8150163, 8152377, 10517163, 11111325, 11120336, 11120824, 11121312, 11121752, 11122232, 11336097, 11361336, 11362907, 11364974, 11365469, 11367536, 11368031, 11370098, 11371005, 11371006, 11372975, 11373137, 11373632, 11374483, 11375698, 11376193, 11378269, 11404372, 11462308, 11485426, 11485546, 11489521, 11489551, 11491773, 11492866, 12157646, 14822728, 15195998, 17405203, 24277680, 24896107
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| ChEBI ID |
CHEBI:34795
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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: 388). | |||
| REF 2 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
| REF 3 | Adenosine receptors: targets for future drugs. J Med Chem. 1982 Mar;25(3):197-207. | |||
| REF 4 | 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 5 | Analogues of caffeine and theophylline: effect of structural alterations on affinity at adenosine receptors. J Med Chem. 1986 Jul;29(7):1305-8. | |||
| REF 6 | A new generation of phosphodiesterase inhibitors: multiple molecular forms of phosphodiesterase and the potential for drug selectivity. J Med Chem. 1985 May;28(5):537-45. | |||
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