3,7-Dimethyl-1-propargylxanthine
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3,7-Dimethyl-1-propargylxanthine
structure -
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CAS No:
14114-46-6
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Formula:
C10H10N4O2
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Chemical Name:
3,7-Dimethyl-1-propargylxanthine
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Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)-;Theobromine,1-(2-propynyl)-;1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-;3,7-Dihydro-3,7-dimethyl-1-(2-propyn-1-yl)-1H-purine-2,6-dione;3,7-Dimethyl-1-propargylxanthine;DMPX;NSC 242985;1-Propargyl 3,7-Dimethylxanthine;3,7-Dimethyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione;3,7-Dihydro-3,7-dimethyl-1-(2-propynyl)-1H-purine-2,6-dione;3,7-Dimethyl-1-prop-2-ynylpurine-2,6-dione
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CAS No:
3,7-Dimethyl-1-propargylxanthine Basic Attributes
218.21
218.21
5YFR5SPS6T
242985
DTXSID30161577
2933990090
Characteristics
58.4
0
white solid
1.31g/cm3
207 °C
443.9ºC at 760mmHg
222.3ºC
1.638
DMSO: ≥15 mg/mL
-20°C Freezer
Safety Information
NONH for all modes of transport
3
36/37/38
22-26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Compounds that selectively bind to and block the activation of ADENOSINE A2 RECEPTORS. (See all compounds classified as Adenosine A2 Receptor Antagonists.)
3,7-dimethyl-1-propargylxanthine
3,7-Dimethyl-1-propargylxanthine Use and Manufacturing
A selective A2 adenosine receptor antagonist.Pharmacology:Ki vs [3H]NECA at A2 receptors in rat striatal membranes: 11± 3 uM; Ki vs [3H]CHA at A1 receptors in rat cerebral cortical membranes: 45 ± 4 uM.
Computed Properties
Molecular Weight:218.21
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:218.08037557
Monoisotopic Mass:218.08037557
Topological Polar Surface Area:58.4
Heavy Atom Count:16
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,7-Dimethyl-1-propargylxanthine
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