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About This Item
Linear Formula:
CH3C6H10OH
CAS Number:
Molecular Weight:
114.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
138.2 °F - closed cup
Flash Point(C)
59 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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