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178829

Sigma-Aldrich

trans-2-Methylcyclohexanol

99%

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About This Item

Linear Formula:
CH3C6H10OH
CAS Number:
7443-52-9
Molecular Weight:
114.19
EC Number:
231-186-3
MDL number:
MFCD00064168
UNSPSC Code:
12352100
PubChem Substance ID:
24850772
NACRES:
NA.22

Quality Level

100

assay

99%

refractive index

n20/D 1.461 (lit.)

bp

167.2-167.6 °C (lit.)

mp

−21 °C (lit.)

density

0.924 g/mL at 25 °C (lit.)

SMILES string

C[C@@H]1CCCC[C@H]1O

InChI

1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1

InChI key

NDVWOBYBJYUSMF-RNFRBKRXSA-N

Related Categories

General description

2-Methylcyclohexanol binds to the exo-site of the small molecules.

Application

2-Methylcyclohexanol was used in the fragment-based crystallographic screening against HIV protease.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Alexander L Perryman et al.
Chemical biology & drug design, 75(3), 257-268 (2010-07-28)
We have employed a fragment-based screen against wild-type (NL4-3) HIV protease (PR) using the Active Sight fragment library and X-ray crystallography. The experiments reveal two new binding sites for small molecules. PR was co-crystallized with fragments, or crystals were soaked

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