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Coclauril

Names

[ CAS No. ]:
127350-68-9

[ Name ]:
Coclauril

[Synonym ]:
Coclauril
(2E)-[(4R,6S)-4,6-Dihydroxy-2-cyclohexen-1-ylidene]acetonitrile
Acetonitrile, 2-[(4R,6S)-4,6-dihydroxy-2-cyclohexen-1-ylidene]-, (2E)-

Biological Activity

[Description]:

Coclauril is an inhibitor of HBV. Coclauril inhibits HBV replication in the human hepatoblastoma cell line with an EC50 of 7.6 μg/mL[1].

[Related Catalog]:

Research Areas >> Infection
Signaling Pathways >> Anti-infection >> HBV

[References]

[1]. Yi XX, et al. Four New Cyclohexylideneacetonitrile Derivatives from the Hypocotyl of Mangrove (Bruguiera gymnorrhiza). Molecules. 2015 Aug 12;20(8):14565-75.  

[2]. YOGO Motoi, et al. Coclauril, a nonglucosidic 2-cyclohexen-1-ylideneacetonitrile, from Cocculus lauriforius DC.. CHEMICAL & PHARMACEUTICAL BULLETIN, 38(1), 225–226.

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
392.0±42.0 °C at 760 mmHg

[ Molecular Formula ]:
C8H9NO2

[ Molecular Weight ]:
151.16

[ Flash Point ]:
190.9±27.9 °C

[ Exact Mass ]:
151.063324

[ PSA ]:
64.25000

[ LogP ]:
-1.17

[ Vapour Pressure ]:
0.0±2.0 mmHg at 25°C

[ Index of Refraction ]:
1.721

Safety Information

[ Hazard Codes ]:
Xi

Related Compounds