Basic information Safety Supplier Related

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

Basic information Safety Supplier Related

(1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol Basic information

Product Name:
(1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol
Synonyms:
  • (1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol
  • Coclauril
  • Acetonitrile, [(4R,6S)-4,6-dihydroxy-2-cyclohexen-1-ylidene]-, (2E)- (9CI)
CAS:
127350-68-9
MF:
C8H9NO2
MW:
151.16
Mol File:
127350-68-9.mol
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(1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol Chemical Properties

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)
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(1E)-1-Cyanomethylene-2-cyclohexene-4α,6α-diol Usage And Synthesis

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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