2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one

Names

[ CAS No. ]:
104715-80-2

[ Name ]:
2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one

Chemical & Physical Properties

[ Density]:
1.34g/cm3

[ Boiling Point ]:
611.3ºC at 760mmHg

[ Molecular Formula ]:
C18H23N5O3

[ Molecular Weight ]:
357.40700

[ Flash Point ]:
323.5ºC

[ Exact Mass ]:
357.18000

[ PSA ]:
105.32000

[ LogP ]:
2.65750

[ Vapour Pressure ]:
8.5E-16mmHg at 25°C

[ Index of Refraction ]:
1.647

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0791780
CHEMICAL NAME :
6H-Purin-6-one, 1,9-dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyeth oxy)methyl)-
CAS REGISTRY NUMBER :
104715-80-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H23-N5-O3
MOLECULAR WEIGHT :
357.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human HeLa cell
DOSE/DURATION :
38 umol/L
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: 30,109,1987

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 5-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
  • 3-(4-Chlorophenyl)-5-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
  • 2'-(Benzo[d][1,3]dioxol-5-ylcarbamoyl)-[1,1'-biphenyl]-2-carboxylic acid
  • 2-(1,7-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)-3-methylbutanoic acid
  • N-(4-(N-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)-N-methylsulfamoyl)phenyl)acetamide
  • N-(4-(N-(3-(N-(4-fluorophenyl)methylsulfonamido)-2-hydroxypropyl)-N-methylsulfamoyl)phenyl)acetamide
  • 2-((8-oxo-7-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio)-N-phenethylacetamide
  • 4-[(4-Chlorobenzyl)thio]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazine
  • N-(4-fluorophenyl)-N-methyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
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