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2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID is a chemical compound with a molecular formula C12H17NO4S. It is a derivative of thiazole-4-carboxylic acid, synthesized by introducing a 2,2-dimethyl-propionyloxymethyl group onto the thiazole ring. 2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID is known for its potential pharmaceutical applications, particularly as an antibacterial or antifungal agent, due to its thiazole ring structure which is recognized for its antimicrobial properties. The 2,2-dimethyl group enhances the compound's stability and lipophilicity, making it a promising candidate for drug development.

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  • 221322-07-2 Structure
  • Basic information

    1. Product Name: 2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID
    2. Synonyms: 2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID;2-((Pivaloyloxy)methyl)thiazole-4-carboxylic acid
    3. CAS NO:221322-07-2
    4. Molecular Formula: C10H13NO4S
    5. Molecular Weight: 243.28
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 221322-07-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 380.791 °C at 760 mmHg
    3. Flash Point: 184.096 °C
    4. Appearance: /
    5. Density: 1.301 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.549
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID(221322-07-2)
    12. EPA Substance Registry System: 2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID(221322-07-2)
  • 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: 221322-07-2(Hazardous Substances Data)

221322-07-2 Usage

Uses

Used in Pharmaceutical Industry:
2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID is used as an antimicrobial agent for its potential antibacterial and antifungal properties. The thiazole ring structure in the compound is known to contribute to its effectiveness against various microorganisms.
Used in Drug Development:
2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID is used as a promising candidate for drug development due to its enhanced stability and lipophilicity provided by the 2,2-dimethyl group. This makes the compound more suitable for formulation and delivery in pharmaceutical applications.
Further research and testing are required to fully determine the potential uses and benefits of 2-(2,2-dimethyl-propionyloxymethyl)-thiazole-4-carboxylic acid in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 221322-07-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,1,3,2 and 2 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 221322-07:
(8*2)+(7*2)+(6*1)+(5*3)+(4*2)+(3*2)+(2*0)+(1*7)=72
72 % 10 = 2
So 221322-07-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H13NO4S/c1-10(2,3)9(14)15-4-7-11-6(5-16-7)8(12)13/h5H,4H2,1-3H3,(H,12,13)

221322-07-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2,2-dimethylpropanoyloxymethyl)-1,3-thiazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names -

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:221322-07-2 SDS

221322-07-2Downstream Products

221322-07-2Relevant articles and documents

Heterocyclic replacement of the central phenyl core of diamine-based histamine H3 receptor antagonists

Swanson, Devin M.,Shah, Chandra R.,Lord, Brian,Morton, Kirsten,Dvorak, Lisa K.,Mazur, Curt,Apodaca, Richard,Xiao, Wei,Boggs, Jamin D.,Feinstein, Mark,Wilson, Sandy J.,Barbier, Ann J.,Bonaventure, Pascal,Lovenberg, Timothy W.,Carruthers, Nicholas I.

, p. 4413 - 4425 (2009)

A series of small molecules consisting of a heterocyclic core flanked by two basic functionalities were synthesized and screened for in vitro affinity at the human histamine H3 receptor (hH3R). Nine of the twenty-eight compounds tested were found to possess a hH3R Ki of less than 5 nM and consisted of a diverse range of central hetero-aromatic linkers (pyridine, pyrazine, oxazole, isoxazole, thiazole, furan, thiophene, and pyrrole). One member of this series, (4-isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone (37), was found to be a high affinity, selective antagonist that crosses the blood-brain barrier and occupies H3 receptors after oral administration in the rat.

Non-imidazole heterocyclic compounds

-

Page/Page column 12, (2008/06/13)

Certain non-imidazole heterocyclic compounds are histamine H3 modulators useful in the treatment of histamine H3 receptor mediated diseases.

N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists

-

, (2008/06/13)

Compounds represented by Formula (I): or pharmaceutically acceptable salts thereof, are effective as NMDA NR2B antagonists useful for relieving pain.

Discovery of further pyrrolidine trans-lactams as inhibitors of human neutrophil elastase (HNE) with potential as development candidates and the crystal structure of HNE complexed with an inhibitor (GW475151)

Macdonald, Simon J. F.,Dowle, Michael D.,Harrison, Lee A.,Clarke, Geoffrey D. E.,Inglis, Graham G. A.,Johnson, Martin R.,Shah, Pritom,Smith, Robin A.,Amour, Augustin,Fleetwood, Gill,Humphreys, Davina C.,Molloy, Christopher R.,Dixon, Mary,Godward, Rosalind E.,Wonacott, Alan J.,Singh, Onkar M. P.,Hodgson, Simon T.,Hardy, George W.

, p. 3878 - 3890 (2007/10/03)

Described herein is a modern approach to the rapid preparation and evaluation of compounds as potential back-up drug candidates. GW311616A, 1, a derivative of pyrrolidine trans-lactams, has previously been described as a potent, orally active inhibitor of

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