178829

Sigma-Aldrich

trans-2-Methylcyclohexanol

99%

Linear Formula:
CH3C6H10OH
CAS Number:
Molecular Weight:
114.19
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

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

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.

Packaging

1, 5 g in glass bottle

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2617 3 / PGIII

WGK Germany

WGK 3

Flash Point(F)

138.2 °F - closed cup

Flash Point(C)

59 °C - closed cup

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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