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112811-90-2

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  • 112811-90-2 Structure

  • Basic information

    1. Product Name: 2-Thiobenzyl nicotinic acid
    2. Synonyms: 2-THIOBENZYL NICOTINIC ACID;2-THIOBENZYPYRIDINE-3-CARBOXYLIC ACID;2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid;2-BENZYLTHIONICOTINIC ACID;2-[(Phenylmethyl)thio]-nicotinic acid;2-Thiobenzyl;2-thiobenzynicotinic acid;2-PHENYLMETHYLTHIONICOTINIC ACID, 98+%
    3. CAS NO:112811-90-2
    4. Molecular Formula: C13H11NO2S
    5. Molecular Weight: 245.3
    6. EINECS: N/A
    7. Product Categories: Carboxylic Acids;Pyridines;Organic acids;Carboxylic Acids
    8. Mol File: 112811-90-2.mol
    9. Article Data: 8

  • Chemical Properties

    1. Melting Point: 188-190°C
    2. Boiling Point: 431.1 °C at 760 mmHg
    3. Flash Point: 214.5 °C
    4. Appearance: /
    5. Density: 1.33 g/cm3
    6. Vapor Pressure: 3.73E-07mmHg at 25°C
    7. Refractive Index: 1.633
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 1.56±0.36(Predicted)
    11. CAS DataBase Reference: 2-Thiobenzyl nicotinic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Thiobenzyl nicotinic acid(112811-90-2)
    13. EPA Substance Registry System: 2-Thiobenzyl nicotinic acid(112811-90-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 112811-90-2(Hazardous Substances Data)

112811-90-2 Usage

Chemical Properties

White crystalline powder

Check Digit Verification of cas no

The CAS Registry Mumber 112811-90-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,8,1 and 1 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 112811-90:
(8*1)+(7*1)+(6*2)+(5*8)+(4*1)+(3*1)+(2*9)+(1*0)=92
92 % 10 = 2
So 112811-90-2 is a valid CAS Registry Number.
InChI:InChI=1/C13H11NO2S/c15-13(10-5-3-7-14-8-10)16-9-11-4-1-2-6-12(11)17/h1-5,7-8H,6,9H2

112811-90-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-benzylsulfanylpyridine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2-Benzylsulfanyl-nicotinic acid

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:112811-90-2 SDS

112811-90-2Relevant articles and documents

Azacyclo diketone compound and preparation method thereof

-

, (2020/06/17)

The invention provides an azacyclo diketone compound, which is a compound represented by the following structure defined in the specification, or a pharmaceutically acceptable salt thereof. The invention provides a compound having an inhibitory activity on influenza (flu) virus proliferation, particularly on influenza-related cap-dependent endonuclease to inhibit influenza virus proliferation so as to treat or prevent influenza. The present invention relates to a substituted azacyclo diketone compound having inhibitory activity on cap-dependent endonuclease, and a pharmaceutical composition containing the substituted azacyclo diketone compound.

Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors

Furdas, Silviya D.,Shekfeh, Suhaib,Bissinger, Elisabeth-Maria,Wagner, Julia M.,Schlimme, Sonja,Valkov, Vassil,Hendzel, Michael,Jung, Manfred,Sippl, Wolfgang

experimental part, p. 3678 - 3689 (2011/08/03)

We present a combination of database screening, synthesis and in vitro testing to identify novel histone acetyltransferase (HAT) inhibitors. The National Cancer Institute compound collection (NCI) and several commercial databases were filtered by similarity-based virtual screening to find new HAT inhibitors. Employing the recombinant HAT p300/CBP-associated factor (PCAF) and two different histone substrates for screening, pyridoisothiazolones were identified as inhibitors of human PCAF. Due to the limited solubility of the initial hits, we synthesized and tested them on PCAF. The compounds inhibit the proliferation of cancer cells. In summary, valuable chemical tools and potential lead candidates for new anticancer agents directed against HATs as new targets have been identified.

PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID

-

Page/Page column 7, (2008/06/13)

The invention discloses an improved process for producing an intermediate to produce large quantity of 2-(Phenyl methyl thio)-3-pyridine carboxylic acid. The process comprises reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in presence of a base a

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