178829
trans-2-Methylcyclohexanol
99%
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About This Item
Linear Formula:
CH3C6H10OH
CAS Number:
Molecular Weight:
114.19
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
231-186-3
MDL number:
Assay:
99%
InChI key
NDVWOBYBJYUSMF-RNFRBKRXSA-N
InChI
1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
SMILES string
C[C@@H]1CCCC[C@H]1O
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.)
functional group
hydroxyl
Quality Level
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
危险化学品
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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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