grade
drug standard
drug control
kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
availability
not available in Japan
concentration
1 mg/mL in methanol
application(s)
pharmaceutical (small molecule)
storage temp.
−20°C
SMILES string
CN1CCC(CC1)(C(OCC)=O)C2=CC=CC=C2
InChI
1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChI key
XADCESSVHJOZHK-UHFFFAOYSA-N
Gene Information
human ... OPRD1(4985), OPRK1(4986), OPRM1(4988)
rat ... Oprm1(25601), Slc6a3(24898), Slc6a4(25553)
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signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
target_organs
Eyes,Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
51.8 °F - closed cup
flash_point_c
11 °C - closed cup
法规信息
新产品
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Chris Dockendorff et al.
Bioorganic & medicinal chemistry letters, 19(4), 1228-1232 (2009-01-27)
A series of 1-aminotetralin scaffolds was synthesized via metal-catalyzed ring-opening reactions of heterobicyclic alkenes. Small libraries of amides and amines were made using the amino group of each scaffold as a handle. Screening of these libraries against human opioid receptors
Mari Sithambaram Karthikeyan
European journal of medicinal chemistry, 44(2), 827-833 (2008-06-27)
A series of 2,4-dichloro-5-fluorophenyl containing thiazolotriazoles were synthesized starting from 3-(2,4-dichloro-5-fluorophenyl)-4H-1,2,4-triazole-3-thiol. The newly synthesized compounds were characterized by IR, 1H NMR, mass and elemental analysis. Some of the synthesized compounds were tested for their anti-inflammatory, analgesic and antimicrobial activities. Compounds
Giulio Vistoli et al.
Bioorganic & medicinal chemistry, 18(1), 320-329 (2009-11-26)
Metabolic problems lead to numerous failures during clinical trials, and much effort is now devoted in developing in silico models predicting metabolic stability and metabolites. Such models are well known for cytochromes P450 and some transferases, whereas little has been