8-Cyclopentyl-1,3-dimethylxanthine

Names

[ Name ]:
8-Cyclopentyl-1,3-dimethylxanthine

[Synonym ]:
8-Cyclopentyltheophylline CPT
8-Cyclopentyl-1,3-dimethylxanthine
8-Cyclopentyl theophylline
Theophylline,8-cyclopentyl
cyclopentyl teophylline
1,3-dimethyl-8-cyclopentylxanthine
Xanthine,8-cyclopentyl-1,3-dimethyl
8-cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Biological Activity

[Description]:

8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].

[Related Catalog]:

Research Areas >> Cardiovascular Disease

Signaling Pathways >> GPCR/G Protein >> Adenosine Receptor

[Target]

Ki: 10.9 nM (A1 receptor), 1440 nM (A2 receptor)[1]

[References]

[1]. K A Jacobson, et al. Sulfur-containing 1,3-dialkylxanthine derivatives as selective antagonists at A1-adenosine receptors. J Med Chem. 1989 Aug;32(8):1873-9.

Chemical & Physical Properties

[ Density]:
1.332g/cm3

[ Boiling Point ]:
513.1ºC at 760mmHg

[ Melting Point ]:
250-252ºC

[ Molecular Formula ]:
C₁₂H₁₆N₄O₂

[ Molecular Weight ]:
248.28100

[ Flash Point ]:
264.1ºC

[ Exact Mass ]:
248.12700

[ PSA ]:
72.68000

[ LogP ]:
0.61790

[ Index of Refraction ]:
1.607

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5093600

CHEMICAL NAME :: Theophylline, 8-cyclopentyl-

CAS REGISTRY NUMBER :: 35873-49-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H16-N4-O2

MOLECULAR WEIGHT :: 248.32

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ F1 H1 C- AL5TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06862

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
XH5093600

[ HS Code ]:
2933990090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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