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307511-65-5

ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE is an organic compound with the molecular formula C15H15NOS. It is a derivative of thiophene, featuring an amino group and a carboxylate group attached to the thiophene ring, as well as a 3,4-dimethylphenyl group. ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE is known for its potential applications in the pharmaceutical and chemical industries due to its unique structural properties.

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  • 307511-65-5 Structure

  • Basic information

    1. Product Name: ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE
    2. Synonyms: OTAVA-BB BB0129720147;2-AMINO-4-(3,4-DIMETHYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER;3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-(3,4-DIMETHYLPHENYL)-, ETHYL ESTER;AKOS BBS-00000857;ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE;CHEMBRDG-BB 3000794;AURORA 20384;ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate(SALTDATA: FREE)
    3. CAS NO:307511-65-5
    4. Molecular Formula: C15H17NO2S
    5. Molecular Weight: 275.37
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 307511-65-5.mol

  • Chemical Properties

    1. Melting Point: 80-83℃
    2. Boiling Point: 411.5°C at 760 mmHg
    3. Flash Point: 202.6°C
    4. Appearance: /
    5. Density: 1.179g/cm3
    6. Vapor Pressure: 5.57E-07mmHg at 25°C
    7. Refractive Index: 1.596
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: -0.04±0.14(Predicted)
    11. CAS DataBase Reference: ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE(307511-65-5)
    13. EPA Substance Registry System: ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE(307511-65-5)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 307511-65-5(Hazardous Substances Data)

307511-65-5 Usage

Uses

Used in Pharmaceutical Industry:
ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE is used as a reagent for the synthesis and evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids. These synthesized compounds serve as inhibitors of human protein kinase CK2, which is a key enzyme involved in various cellular processes, including cell proliferation, differentiation, and apoptosis. By inhibiting this enzyme, these compounds can potentially be used in the development of therapeutic agents for the treatment of various diseases, such as cancer and inflammatory disorders.
Used in Chemical Research:
In the field of chemical research, ETHYL 2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLATE can be utilized as a building block or intermediate for the synthesis of more complex molecules with potential applications in various industries. Its unique structural features make it a valuable compound for exploring new chemical reactions and developing novel synthetic routes.

Check Digit Verification of cas no

The CAS Registry Mumber 307511-65-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,7,5,1 and 1 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 307511-65:
(8*3)+(7*0)+(6*7)+(5*5)+(4*1)+(3*1)+(2*6)+(1*5)=115
115 % 10 = 5
So 307511-65-5 is a valid CAS Registry Number.
InChI:InChI=1/C15H17NO2S/c1-4-18-15(17)13-12(8-19-14(13)16)11-6-5-9(2)10(3)7-11/h5-8H,4,16H2,1-3H3

307511-65-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (H31569)  Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate, 96%   

  • 307511-65-5

  • 250mg

  • 525.0CNY

  • Detail

  • Alfa Aesar

  • (H31569)  Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate, 96%   

  • 307511-65-5

  • 1g

  • 1451.0CNY

  • Detail

  • Alfa Aesar

  • (H31569)  Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate, 96%   

  • 307511-65-5

  • 5g

  • 4863.0CNY

  • Detail

307511-65-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl 2-amino-4-(3,4-dimethylphenyl)-3-thiophenecarboxylate

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:307511-65-5 SDS

307511-65-5Relevant articles and documents

Design and synthesis of novel protein kinase CK2 inhibitors on the base of 4-aminothieno[2,3-d]pyrimidines

Ostrynska, Olga V.,Balanda, Anatoliy O.,Bdzhola, Volodymyr G.,Golub, Andriy G.,Kotey, Igor M.,Kukharenko, Olexander P.,Gryshchenko, Andrii A.,Briukhovetska, Nadiia V.,Yarmoluk, Sergiy M.

, p. 148 - 160 (2016/04/05)

An extension of our previous research work has resulted in a number of new ATP-competitive CK2 inhibitors that have been identified among 4-aminothieno[2,3-d]pyrimidine derivatives. The most active compounds obtained in the course of the research are 3-(5-p-tolyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid, 5e (NHTP23, IC50 = 0.01 μM), 3-(5-phenyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid, 5g (NHTP25, IC50 = 0.065 μM) and 3-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid, 5n (NHTP33, IC50 = 0.008 μM). Structure-activity relationships of the tested 4-aminothieno[2,3-d]pyrimidine derivatives have been studied and their binding mode with ATP-acceptor site of CK2 has been proposed. A negative effect of intramolecular hydrogen bonding in the compounds' structure is discussed.

Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin- 4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2

Golub, Andriy G.,Bdzhola, Volodymyr G.,Briukhovetska, Nadiia V.,Balanda, Anatoliy O.,Kukharenko, Olexander P.,Kotey, Igor M.,Ostrynska, Olga V.,Yarmoluk, Sergiy M.

experimental part, p. 870 - 876 (2011/04/22)

A novel series of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids has been synthesized and tested in vitro towards human protein kinase CK2. It was revealed that the most active compounds inhibiting CK2 are 3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid and 3-{[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid (IC 50 values are 0.1 μM and 0.125 μM, respectively). Structure-activity relationships of 28 tested thienopyrimidine derivatives have been studied and binding mode of this chemical class has been predicted. Evaluation of the inhibitors on seven protein kinases revealed considerable selectivity towards CK2.

THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF

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Page/Page column 66-67, (2008/06/13)

Thiophene-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are d

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