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5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER is a chemical compound with the molecular formula C8H10N2O2S, belonging to the class of ethyl ester derivatives of 5-amino-2-methylthiazole-4-carboxylic acid. It is recognized for its role in organic synthesis and its potential biological activities, which make it a significant molecule in the fields of pharmaceutical development and medicinal chemistry research.

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  • 31785-05-4 Structure
  • Basic information

    1. Product Name: 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    2. Synonyms: 5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester AldrichCPR;5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ETHYL 5-AMINO-2-METHYLTHIAZOLE-4-CARBOXYLATE;5-Amino-4-(ethoxycarbonyl)-2-methyl-1,3-thiazole;Ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate;5-Amino-2-methyl-thiazole-4-carboxylic;acid ethyl ester
    3. CAS NO:31785-05-4
    4. Molecular Formula: C7H10N2O2S
    5. Molecular Weight: 186.23
    6. EINECS: 1308068-626-2
    7. Product Categories: N/A
    8. Mol File: 31785-05-4.mol
  • Chemical Properties

    1. Melting Point: 158-159 °C
    2. Boiling Point: 301.941 °C at 760 mmHg
    3. Flash Point: 136.409 °C
    4. Appearance: /
    5. Density: 1.284 g/cm3
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.579
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 2.38±0.10(Predicted)
    11. CAS DataBase Reference: 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(31785-05-4)
    13. EPA Substance Registry System: 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(31785-05-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: 1993
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 3
    8. PackingGroup:
    9. Hazardous Substances Data: 31785-05-4(Hazardous Substances Data)

31785-05-4 Usage

Uses

Used in Organic Synthesis:
5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER is used as a reagent in organic synthesis for the preparation of pharmaceuticals, agrochemicals, and other fine chemicals. Its versatility as an intermediate allows for the synthesis of a wide range of compounds, contributing to its importance in the development of various products.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER is utilized as a key intermediate in the synthesis of drugs. Its potential biological activities make it a valuable component in the creation of new medications, particularly those targeting specific therapeutic areas.
Used in Medicinal Chemistry Research:
5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER is also used in medicinal chemistry research as a significant molecule for exploring its potential biological properties. This research can lead to the discovery of new therapeutic agents and contribute to the advancement of medical treatments.
Used in Agrochemicals:
In the agrochemical industry, 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER is employed as a reagent in the synthesis of various agrochemical products. Its role in this industry is crucial for the development of effective and safe agricultural chemicals that can protect crops and enhance agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 31785-05-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,7,8 and 5 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 31785-05:
(7*3)+(6*1)+(5*7)+(4*8)+(3*5)+(2*0)+(1*5)=114
114 % 10 = 4
So 31785-05-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3

31785-05-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Detail
  • Aldrich

  • (SYX00062)  5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester  AldrichCPR

  • 31785-05-4

  • SYX00062-1G

  • 3,540.42CNY

  • Detail

31785-05-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester

1.2 Other means of identification

Product number -
Other names ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate

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:31785-05-4 SDS

31785-05-4Downstream Products

31785-05-4Relevant articles and documents

Discovery of a Pyrimidothiazolodiazepinone as a Potent and Selective Focal Adhesion Kinase (FAK) Inhibitor

Groendyke, Brian J.,Nabet, Behnam,Mohardt, Mikaela L.,Zhang, Haisheng,Peng, Ke,Koide, Eriko,Coffey, Calvin R.,Che, Jianwei,Scott, David A.,Bass, Adam J.,Gray, Nathanael S.

, p. 30 - 38 (2021/01/11)

Focal adhesion kinase (FAK) is a tyrosine kinase with prominent roles in protein scaffolding, migration, angiogenesis, and anchorage-independent cell survival and is an attractive target for the development of cancer therapeutics. However, current FAK inhibitors display dual kinase inhibition and/or significant activity on several kinases. Although multitargeted activity is at times therapeutically advantageous, such behavior can also lead to toxicity and confound chemical-biology studies. We report a novel series of small molecules based on a tricyclic pyrimidothiazolodiazepinone core that displays both high potency and selectivity for FAK. Structure-activity relationship (SAR) studies explored modifications to the thiazole, diazepinone, and aniline "tail,"which identified lead compound BJG-03-025. BJG-03-025 displays potent biochemical FAK inhibition (IC50 = 20 nM), excellent kinome selectivity, activity in 3D-culture breast and gastric cancer models, and favorable pharmacokinetic properties in mice. BJG-03-025 is a valuable chemical probe for evaluation of FAK-dependent biology.

SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS

-

, (2020/11/30)

Disclosed are compounds that possess inhibitory activity against FAK. Also disclosed are pharmaceutical compositions containing the compounds and methods of using the compounds to treat cancer mediated by aberrant FAK activity.

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