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Benzenemethanol, 3-ethynyl-, also known as 3-Ethynylphenylmethanol or 3-Ethynylbenzyl alcohol, is a chemical compound with the molecular formula C9H8O. It is a colorless to light yellow liquid with a faint odor. Benzenemethanol, 3-ethynylis commonly used in the synthesis of various pharmaceutical and organic compounds, serving as a building block in the production of active pharmaceutical ingredients and agrochemicals. It also finds applications in the manufacturing of flavor and fragrance additives, as well as in the creation of polymers and other specialty chemicals. Due to its potential to cause irritation to the skin, eyes, and respiratory system, it is important to handle Benzenemethanol, 3-ethynylwith care.

10602-07-0

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10602-07-0 Usage

Uses

Used in Pharmaceutical Industry:
Benzenemethanol, 3-ethynylis used as a building block for the synthesis of active pharmaceutical ingredients. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, Benzenemethanol, 3-ethynylis utilized as a precursor in the production of various agrochemicals, contributing to the development of effective pest control agents and other agricultural products.
Used in Flavor and Fragrance Industry:
Benzenemethanol, 3-ethynylis employed in the manufacturing of flavor and fragrance additives, enhancing the sensory properties of various consumer products such as food, beverages, and cosmetics.
Used in Polymer and Specialty Chemicals Industry:
Benzenemethanol, 3-ethynylis also used in the creation of polymers and other specialty chemicals, where its unique properties can be leveraged to develop innovative materials with specific characteristics and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 10602-07-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,6,0 and 2 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 10602-07:
(7*1)+(6*0)+(5*6)+(4*0)+(3*2)+(2*0)+(1*7)=50
50 % 10 = 0
So 10602-07-0 is a valid CAS Registry Number.

10602-07-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (3-Ethynylphenyl)methanol

1.2 Other means of identification

Product number -
Other names 3-(hydroxymethyl)ethynylbenzene

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:10602-07-0 SDS

10602-07-0Relevant academic research and scientific papers

Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer

Langston, Steven P.,Grossman, Stephen,England, Dylan,Afroze, Roushan,Bence, Neil,Bowman, Douglas,Bump, Nancy,Chau, Ryan,Chuang, Bei-Ching,Claiborne, Christopher,Cohen, Larry,Connolly, Kelly,Duffey, Matthew,Durvasula, Nitya,Freeze, Scott,Gallery, Melissa,Galvin, Katherine,Gaulin, Jeffrey,Gershman, Rachel,Greenspan, Paul,Grieves, Jessica,Guo, Jianping,Gulavita, Nanda,Hailu, Shumet,He, Xingyue,Hoar, Kara,Hu, Yongbo,Hu, Zhigen,Ito, Mitsuhiro,Kim, Mi-Sook,Lane, Scott Weston,Lok, David,Lublinsky, Anya,Mallender, William,McIntyre, Charles,Minissale, James,Mizutani, Hirotake,Mizutani, Miho,Molchinova, Nina,Ono, Koji,Patil, Ashok,Qian, Mark,Riceberg, Jessica,Shindi, Vaishali,Sintchak, Michael D.,Song, Keli,Soucy, Teresa,Wang, Yana,Xu, He,Yang, Xiaofeng,Zawadzka, Agatha,Zhang, Ji,Pulukuri, Sai M.

supporting information, p. 2501 - 2520 (2021/04/02)

SUMOylation is a reversible post-translational modification that regulates protein function through covalent attachment of small ubiquitin-like modifier (SUMO) proteins. The process of SUMOylating proteins involves an enzymatic cascade, the first step of which entails the activation of a SUMO protein through an ATP-dependent process catalyzed by SUMO-activating enzyme (SAE). Here, we describe the identification of TAK-981, a mechanism-based inhibitor of SAE which forms a SUMO-TAK-981 adduct as the inhibitory species within the enzyme catalytic site. Optimization of selectivity against related enzymes as well as enhancement of mean residence time of the adduct were critical to the identification of compounds with potent cellular pathway inhibition and ultimately a prolonged pharmacodynamic effect and efficacy in preclinical tumor models, culminating in the identification of the clinical molecule TAK-981.

Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase

Yanagisawa, Tatsuo,Kuratani, Mitsuo,Seki, Eiko,Hino, Nobumasa,Sakamoto, Kensaku,Yokoyama, Shigeyuki

, p. 936 - 13,949 (2019/07/17)

Yanagisawa et al. analyzed the Y306A/Y384F mutant of Methanosarcina mazei pyrrolysyl-tRNA synthetase (PylRS) with 17 non-natural, bulky oxycarbonyllysine derivatives for tRNAPyl aminoacylation and site-specific incorporation into proteins. Fourteen crystal structures of the amino acid-bound PylRS mutant revealed the structural bases of the binding. This information facilitates the structure-based design of novel amino acids. Pyrrolysyl-tRNA synthetase (PylRS) and tRNAPyl have been extensively used for genetic-code expansion. A Methanosarcina mazei PylRS mutant bearing the Y306A and Y384F mutations (PylRS(Y306A/Y384F)) encodes various bulky non-natural lysine derivatives by UAG. In this study, we examined how PylRS(Y306A/Y384F) recognizes many amino acids. Among 17 non-natural lysine derivatives, N?-(benzyloxycarbonyl)lysine (ZLys) and 10 ortho/meta/para-substituted ZLys derivatives were efficiently ligated to tRNAPyl and were incorporated into proteins by PylRS(Y306A/Y384F). We determined crystal structures of 14 non-natural lysine derivatives bound to the PylRS(Y306A/Y384F) catalytic fragment. The meta- and para-substituted ZLys derivatives are snugly accommodated in the productive mode. In contrast, ZLys and the unsubstituted or ortho-substituted ZLys derivatives exhibited an alternative binding mode in addition to the productive mode. PylRS(Y306A/Y384F) displayed a high aminoacylation rate for ZLys, indicating that the double-binding mode minimally affects aminoacylation. These precise substrate recognition mechanisms by PylRS(Y306A/Y384F) may facilitate the structure-based design of novel non-natural amino acids.

APOPTOSIS INHIBITORS

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Paragraph 0360, (2018/02/27)

The invention provides compounds that are inhibitors or covalent modifiers of succinate dehydrogenase subunit B (SDHB) and/or inhibitors of apoptosis, and pharmaceutically acceptable salts, hydrides and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof with an effective amount of the compound or composition.

Pyrtriazoles, a Novel Class of Store-Operated Calcium Entry Modulators: Discovery, Biological Profiling, and in Vivo Proof-of-Concept Efficacy in Acute Pancreatitis

Riva, Beatrice,Griglio, Alessia,Serafini, Marta,Cordero-Sanchez, Celia,Aprile, Silvio,Di Paola, Rosanna,Gugliandolo, Enrico,Alansary, Dalia,Biocotino, Isabella,Lim, Dmitry,Grosa, Giorgio,Galli, Ubaldina,Niemeyer, Barbara,Sorba, Giovanni,Canonico, Pier Luigi,Cuzzocrea, Salvatore,Genazzani, Armando A.,Pirali, Tracey

supporting information, p. 9756 - 9783 (2018/11/23)

In recent years, channels that mediate store-operated calcium entry (SOCE, i.e., the ability of cells to sense a decrease in endoplasmic reticulum luminal calcium and induce calcium entry across the plasma membrane) have been associated with a number of d

GPR40 agonist and its application

-

Paragraph 0115; 0121; 0122, (2018/01/19)

The invention provides a novel benzyne compound and its stereisomer, salt, hydrate or crystal for adjusting G protein coupled receptor 40 (GPR40) functions and especially for preventing or treating diabetes. The invention also provides a useful intermedia

HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME

-

Paragraph 00201; 00203, (2015/01/16)

Disclosed are compounds of formula (I): or a pharmaceutically acceptable salt thereof; wherein Y, Ra, Ra', Rc, Rf, X2, Rd, Rd', Re, Re', m, and G have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry, useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular and neurodegenerative diseases or disorders.

Pin-point chemical modification of RNA with diverse molecules through the functionality transfer reaction and the copper-catalyzed azide-alkyne cycloaddition reaction

Onizuka, Kazumitsu,Shibata, Atsushi,Taniguchi, Yosuke,Sasaki, Shigeki

supporting information; experimental part, p. 5004 - 5006 (2011/06/10)

The internal modification of RNA has been successfully achieved by the functionality transfer reaction (FTR) and following click chemistry with diverse azide compounds. The benefits of the FTR have been demonstrated by its specificity, rapidity, broad applicability, and procedure simplicity.

Click-connected ligand scaffolds: macrocyclic chelates for asymmetric hydrogenation

Qing, Zhang,Takacs, James M.

, p. 545 - 548 (2008/09/17)

Click chemistry is used to construct ligand scaffolds for a series of chiral diphosphites. Enantioselectivity as high as 97% ee is obtained using these click ligands in rhodium-catalyzed asymmetric hydrogenation. Control experiments and spectroscopic data suggest that a 16-membered P,P-macrocyclic Rh(1) chelate is formed.

Cross-coupling of aryl iodides with paramagnetic terminal acetylenes derived from 4,4,5,5-tetramethyl-2-imidazoline-2-oxyl 3-oxide

Klyatskaya, S. V.,Tretyakov, E. V.,Vasilevsky, S. F.

, p. 128 - 134 (2007/10/03)

2-(Arylylethynylphenyl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxides 12 and 13 were synthesized by cross-coupling of aryl iodides with 1-alkynes containing the 4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide fragment. A procedure was developed for the preparation of 3-and 4-ethynyibenzaldehydes with the use of 2-methylbut-3-yn-2-ol.

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