8-Cyclopentyltheophylline
-
8-Cyclopentyltheophylline
structure -
-
CAS No:
35873-49-5
-
Formula:
C12H16N4O2
-
Chemical Name:
8-Cyclopentyltheophylline
-
Synonyms:
1H-Purine-2,6-dione,8-cyclopentyl-3,9-dihydro-1,3-dimethyl-;1H-Purine-2,6-dione,8-cyclopentyl-3,7-dihydro-1,3-dimethyl-;8-Cyclopentyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione;8-Cyclopentyltheophylline;8-Cyclopentyl-1,3-dimethylxanthine;1,3-Dimethyl-8-cyclopentylxanthine;PD 116600;CPT;NSC 101806
-
CAS No:
8-Cyclopentyltheophylline Basic Attributes
248.28
248.28
U7PWT4CPL5
101806
DTXSID70189432
2933990090
Characteristics
69.3
0.61790
white or off-white crystalline
1.332g/cm3
250-252°C
513.1ºC at 760mmHg
264.1ºC
1.607
soluble in 0.1M NaOH. Slightly soluble in water. Also soluble in DMSO at 16mg/ml at 60°C.
-20°C Freezer
158.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
NONH for all modes of transport
3
XH5093600
Store in freezer; Solutions at 4 deg C stable for several days
Drug Information
Compounds that bind to and block the stimulation of PURINERGIC P1 RECEPTORS. (See all compounds classified as Purinergic P1 Receptor Antagonists.)
8-CPDMX
8-Cyclopentyltheophylline Use and Manufacturing
A selective A1 adenosine receptor antagonist.Binding activity in rat brain membranes: Ki = 10.9 nM (A1 receptor); Ki = 1440 nM (A2 receptor)
Computed Properties
Molecular Weight:248.28
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:248.12732577
Monoisotopic Mass:248.12732577
Topological Polar Surface Area:69.3
Heavy Atom Count:18
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes