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127350-68-9

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127350-68-9 Structure

127350-68-9 Structure
IdentificationBack Directory
[Name]

(1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol
[CAS]

127350-68-9
[Synonyms]

Coclauril
(1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol
Acetonitrile, [(4R,6S)-4,6-dihydroxy-2-cyclohexen-1-ylidene]-, (2E)- (9CI)
[Molecular Formula]

C8H9NO2
[MDL Number]

MFCD20260939
[MOL File]

127350-68-9.mol
[Molecular Weight]

151.16
Chemical PropertiesBack Directory
[Melting point ]

121-124 °C
[Boiling point ]

392.0±42.0 °C(Predicted)
[density ]

1.449±0.06 g/cm3(Predicted)
[pka]

13.03±0.40(Predicted)
Hazard InformationBack Directory
[Uses]

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].
[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. DOI:10.3390/molecules200814565
[2] YOGO Motoi, et al. Coclauril, a nonglucosidic 2-cyclohexen-1-ylideneacetonitrile, from Cocculus lauriforius DC.. CHEMICAL & PHARMACEUTICAL BULLETIN, 38(1), 225–226.
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