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4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE is a heterocyclic compound that features a six-membered cyclohexane ring fused with a pyrimidine ring. 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE is notable for its mercapto and cyano groups attached to the pyrimidine ring, along with a carbonyl group. Its complex structure endows it with potential biological activities and therapeutic properties, positioning it as a promising candidate in pharmaceutical research and drug development.

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  • 4-cyclohexyl-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

    Cas No: 290313-19-8

  • USD $ 1.9-2.9 / Gram

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  • 290313-19-8 Structure
  • Basic information

    1. Product Name: 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
    2. Synonyms: 5-CYANO-6-CYCLOHEXYL-2-THIOURACIL;4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE;6-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
    3. CAS NO:290313-19-8
    4. Molecular Formula: C11H13N3OS
    5. Molecular Weight: 235.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 290313-19-8.mol
  • Chemical Properties

    1. Melting Point: >300
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.32g/cm3
    6. Refractive Index: 1.622
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 6.01±0.25(Predicted)
    10. CAS DataBase Reference: 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE(290313-19-8)
    12. EPA Substance Registry System: 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE(290313-19-8)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
    3. Safety Statements: S36/37:Wear suitable protective clothing and gloves.;
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 290313-19-8(Hazardous Substances Data)

290313-19-8 Usage

Uses

Used in Pharmaceutical Research:
4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE is utilized as a chemical entity in pharmaceutical research for its potential to contribute to the development of new drugs. Its unique molecular architecture allows it to interact with biological targets in ways that could lead to the creation of medicines for various diseases.
Used in Drug Development:
In the field of drug development, 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE serves as a key compound for designing and synthesizing novel therapeutic agents. Its capacity to engage with specific biological pathways makes it a valuable asset in the quest to find cures or treatments for a range of medical conditions.
Used in Medicinal Chemistry:
4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE is applied in medicinal chemistry to explore its full potential in terms of biological activity. Further studies and research are essential to understand how this chemical can be harnessed to create effective and safe medications.
Used in Targeted Disease Treatment:
Although the specific diseases or biological pathways have not been detailed in the provided materials, the compound's potential for targeting specific diseases or pathways suggests that it could be used in the development of treatments for a variety of conditions. Its application would be as a component in the formulation of drugs designed to address particular health challenges.

Check Digit Verification of cas no

The CAS Registry Mumber 290313-19-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,9,0,3,1 and 3 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 290313-19:
(8*2)+(7*9)+(6*0)+(5*3)+(4*1)+(3*3)+(2*1)+(1*9)=118
118 % 10 = 8
So 290313-19-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H13N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h7H,1-5H2,(H2,13,14,15,16)

290313-19-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-cyclohexyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

1.2 Other means of identification

Product number -
Other names HMS559O14

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:290313-19-8 SDS

290313-19-8Relevant articles and documents

MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS)

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Paragraph 0149, (2013/08/28)

Embodiments of the invention are directed to compounds that inhibit an activity of EP AC proteins and methods of using the same. The inventors have developed a sensitive and robust high throughput screening (HTS) assay for the purpose of identifying EPAC specific inhibitors (Tsalkova et al. (2012) PLOS ONE 7(1 ):e30441).

5-Cyano-6-oxo-1,6-dihydro-pyrimidines as potent antagonists targeting exchange proteins directly activated by cAMP

Chen, Haijun,Tsalkova, Tamara,Mei, Fang C.,Hu, Yaohua,Cheng, Xiaodong,Zhou, Jia

scheme or table, p. 4038 - 4043 (2012/07/03)

Exchange proteins directly activated by cAMP (Epac) are a family of guanine nucleotide exchange factors that regulate a wide variety of intracellular processes in response to second messenger cAMP. To explore the structural determinants for Epac antagonist properties of high throughput screening (HTS) hit ESI-08, pyrimidine 1, a series of 5-cyano-6-oxo-1,6-dihydro-pyrimidine analogues have been synthesized and evaluated for their activities for Epac inhibition. Structure-activity relationship (SAR) analysis led to the identification of three more potent Epac antagonists (6b, 6g, and 6h). These inhibitors may serve as valuable pharmacological probes for further elucidation of the physiological functions and mechanisms of Epac regulation. Our SAR results and molecular docking studies have also revealed that further optimization of the moieties at the C-6 position of pyrimidine scaffold may allow us to discover more potent Epac-specific antagonists.

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