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35873-49-5

35873-49-5 structure
35873-49-5 structure
  • Name: 8-Cyclopentyl-1,3-dimethylxanthine
  • Chemical Name: 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
  • CAS Number: 35873-49-5
  • Molecular Formula: C12H16N4O2
  • Molecular Weight: 248.28100
  • Catalog: Signaling Pathways GPCR/G Protein Adenosine Receptor
  • Create Date: 2018-02-11 08:00:00
  • Modify Date: 2025-08-26 03:19:19
  • 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].
Name 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Synonyms 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
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
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.
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

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
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  2

DownStream  0

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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