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(4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate is an organic compound characterized by a cyclohexane ring with two fluorine atoms, a methyl group, and a 4-methylbenzenesulfonate group. It is recognized for its role in organic synthesis and holds potential in the fields of medicinal chemistry and material science.

178310-99-1

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178310-99-1 Usage

Uses

Used in Organic Synthesis:
(4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate is used as a reagent for introducing the 4-methylbenzenesulfonate group into other molecules, which is crucial for the synthesis of various compounds.
Used in Pharmaceutical Production:
In the pharmaceutical industry, (4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate serves as an important building block in the development and production of certain drugs, contributing to the creation of novel therapeutic agents.
Used in Agrochemical Production:
Similarly, in the agrochemical sector, (4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate is utilized as a key component in the synthesis of various agrochemicals, playing a significant role in the development of products for agricultural applications.
Safety and Handling:
Due to its potential hazards, (4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate must be handled and stored according to standard chemical safety procedures to ensure the safety of personnel and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 178310-99-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,8,3,1 and 0 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 178310-99:
(8*1)+(7*7)+(6*8)+(5*3)+(4*1)+(3*0)+(2*9)+(1*9)=151
151 % 10 = 1
So 178310-99-1 is a valid CAS Registry Number.

178310-99-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4-Difluoro-1-(4-methylphenylsulphonyloxymethyl) cyclohexane

1.2 Other means of identification

Product number -
Other names 4,4-Difluoro-1-(4-methylphenylsulphonyloxymethyl)-cyclohexane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:178310-99-1 SDS

178310-99-1Relevant academic research and scientific papers

Structure-Based Design of Inhibitors Selective for Human Proteasome β2c or β2i Subunits

Xin, Bo-Tao,Huber, Eva M.,De Bruin, Gerjan,Heinemeyer, Wolfgang,Maurits, Elmer,Espinal, Christofer,Du, Yimeng,Janssens, Marissa,Weyburne, Emily S.,Kisselev, Alexei F.,Florea, Bogdan I.,Driessen, Christoph,Van Der Marel, Gijsbert A.,Groll, Michael,Overkleeft, Herman S.

supporting information, p. 1626 - 1642 (2019/02/19)

Subunit-selective proteasome inhibitors are valuable tools to assess the biological and medicinal relevance of individual proteasome active sites. Whereas the inhibitors for the β1c, β1i, β5c, and β5i subunits exploit the differences in the substrate-binding channels identified by X-ray crystallography, compounds selectively targeting β2c or β2i could not yet be rationally designed because of the high structural similarity of these two subunits. Here, we report the development, chemical synthesis, and biological screening of a compound library that led to the identification of the β2c- and β2i-selective compounds LU-002c (4; IC50 β2c: 8 nM, IC50 β2i/β2c: 40-fold) and LU-002i (5; IC50 β2i: 220 nM, IC50 β2c/β2i: 45-fold), respectively. Co-crystal structures with β2 humanized yeast proteasomes visualize protein-ligand interactions crucial for subunit specificity. Altogether, organic syntheses, activity-based protein profiling, yeast mutagenesis, and structural biology allowed us to decipher significant differences of β2 substrate-binding channels and to complete the set of subunit-selective proteasome inhibitors.

Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists

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Page/Page column 15, (2009/04/24)

The invention provides heteroarylene substituted 8-azabicyclo[3.2.1]octane compounds of formula (I): wherein R1, R2, A, and m are defined in the specification, or a pharmaceutically-acceptable salt thereof, that are antagonists at th

4-Amino-2-cyanopyrimidines: Novel scaffold for nonpeptidic cathepsin S inhibitors

Irie, Osamu,Yokokawa, Fumiaki,Ehara, Takeru,Iwasaki, Atsuko,Iwaki, Yuki,Hitomi, Yuko,Konishi, Kazuhide,Kishida, Masashi,Toyao, Atsushi,Masuya, Keiichi,Gunji, Hiroki,Sakaki, Junichi,Iwasaki, Genji,Hirao, Hajime,Kanazawa, Takanori,Tanabe, Keiko,Kosaka, Takatoshi,Hart, Terance W.,Hallett, Allan

scheme or table, p. 4642 - 4646 (2009/04/06)

We describe here a novel 4-amino-2-cyanopyrimidine scaffold for nonpeptidomimetic cathepsin S selective inhibitors. Some of the synthesized compounds have sub-nanomolar potency and high selectivity toward cathepsin S along with promising pharmacokinetic a

Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain

Irie, Osamu,Kosaka, Takatoshi,Ehara, Takeru,Yokokawa, Fumiaki,Kanazawa, Takanori,Hirao, Hajime,Iwasaki, Astuko,Sakaki, Junichi,Teno, Naoki,Hitomi, Yuko,Iwasaki, Genji,Fukaya, Hiroaki,Nonomura, Kazuhiko,Tanabe, Keiko,Koizumi, Shinichi,Uchiyama, Noriko,Bevan, Stuart J.,Malcangio, Marzia,Gentry, Clive,Fox, Alyson J.,Yaqoob, Mohammed,Culshaw, Andrew J.,Hallett, Allan

supporting information; experimental part, p. 5502 - 5505 (2009/08/16)

Cathepsin S inhibitors are well-known to be an attractive target as immunological therapeutic agents. Recently, our gene expression analysis identified that cathepsin S inhibitors could also be effective for neuropathic pain. Herein, we describe the effic

NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF

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Page/Page column 130, (2008/06/13)

The present invention relates to compounds of formula (I), or pharmaceutically acceptable salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R1, R2, R3, R4, and L2, are defined in th

NITRILE COMPOUND AND ITS USE IN PEST CONTROL

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Page/Page column 136-137, (2010/02/12)

The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen)C1-C4 alkyl, which has excellent control effect against pests.

(Azetidin-1-ylalkyl) lactams as tachykinin antagonists

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, (2008/06/13)

The present invention provides compounds of formula (I) and the pharmaceutically acceptable salts thereof, wherein R is C3 -C7 cycloalkyl, aryl or C1 -C6 alkyl, said C1 -C6 alkyl, said C1 -C6 alkyl being optionally substituted by fluoro, COOH, --COO(C1 -C4 alkyl), C3 -C7 cycloalkyl, adamantyl, aryl or het1, and said C3 -C7 cycloalkyl being optionally substituted by 1 or 2 substituents each independently selected from C1 -C4 alkyl, C3 -C7 cycloalkyl, C1 -C4 alkoxy, hydroxy, fluoro, fluoro (C1 -C4) alkyl and fluoro (C1 -C4) Alkoxy; R1 is phenyl, naphthyl, thienyl, benzothienyl or indolyl, each optionally substituted by 1 or 2 substituents each independently selected from C1 -C4 alkyl, C1 -C4 alkoxy, halo and trifluormethyl; R2 is --CO2 H, --CONR3 R4, --CONR5 (C3 -C7 cycloalkyl), --NR5 (C2 -C5 alkanoyl), --NR3 R4, --NR5 CONR5 R6, (C3 -C7 cycloalkyl-C1 -C4 alkyl)R5 N--, --NR5 COCF3, --NR5 SO2 CF3, --NR5 (SO2 C1 -C4 alkyl), --NR5 SO2 NR5 R6, --NR5 (SO2 aryl), --N(aryl) (SO2 C1 -C4 alkyl), --OR5, --O(C3 -C7 cycloalkyl), --SO2 NR5 R6, het3 or a group of formulas: (a), (b), (c), (d), (e), (f), (g) or (h); X is C1 -C4 alkylene; X1 is a direct link or C1 -C6 alkylene; X2 is a direct link, CO, SO2, or NR5 CO; and m is 0, 1 or 2; together with intermediates used in the preparation of compositions containing and the use as tachykinin angatonists of such derivatives. STR1

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