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5-(3-Bromophenylamino)pyrimidine-4,6-diol is a pyrimidine derivative chemical compound, characterized by its white to off-white solid appearance and a molecular formula of C10H8BrN3O2. 5-(3-Bromophenylamino)pyrimidine-4,6-diol holds promise in medicinal chemistry and drug development due to its potential biological activities, which may arise from its unique structural features, including the bromophenylamino group and the pyrimidine-4,6-diol moiety. These structural elements suggest that it could interact with enzymes or receptors, indicating a need for further research to uncover its pharmaceutical properties and applications.

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  • 454685-37-1 Structure
  • Basic information

    1. Product Name: 5-(3-BROMOPHENYLAMINO)PYRIMIDINE-4,6-DIOL
    2. Synonyms: 5-(3-BROMOPHENYLAMINO)PYRIMIDINE-4,6-DIOL
    3. CAS NO:454685-37-1
    4. Molecular Formula: C10H8BrN3O2
    5. Molecular Weight: 282.09
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 454685-37-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 5-(3-BROMOPHENYLAMINO)PYRIMIDINE-4,6-DIOL(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5-(3-BROMOPHENYLAMINO)PYRIMIDINE-4,6-DIOL(454685-37-1)
    11. EPA Substance Registry System: 5-(3-BROMOPHENYLAMINO)PYRIMIDINE-4,6-DIOL(454685-37-1)
  • 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: 454685-37-1(Hazardous Substances Data)

454685-37-1 Usage

Uses

Used in Medicinal Chemistry:
5-(3-Bromophenylamino)pyrimidine-4,6-diol is used as a potential candidate in medicinal chemistry for its possible biological interactions with enzymes or receptors. The presence of the bromophenylamino group and the pyrimidine-4,6-diol moiety in its structure suggests that it may have therapeutic applications once its properties are fully explored.
Used in Drug Development:
In the field of drug development, 5-(3-Bromophenylamino)pyrimidine-4,6-diol is utilized as a compound of interest for the discovery of new pharmaceutical agents. Its unique molecular structure may contribute to the development of drugs targeting specific biological pathways or receptors, pending further research and validation of its potential effects.

Check Digit Verification of cas no

The CAS Registry Mumber 454685-37-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,4,6,8 and 5 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 454685-37:
(8*4)+(7*5)+(6*4)+(5*6)+(4*8)+(3*5)+(2*3)+(1*7)=181
181 % 10 = 1
So 454685-37-1 is a valid CAS Registry Number.

454685-37-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(3-bromoanilino)-4-hydroxy-1H-pyrimidin-6-one

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 -
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More Details:454685-37-1 SDS

454685-37-1Relevant articles and documents

Design, synthesis, and structure-activity relationship of 6-alkynylpyrimidines as potent adenosine kinase inhibitors

Gomtsyan, Arthur,Didomenico, Stanley,Lee, Chih-Hung,Matulenko, Mark A.,Kim, Ki,Kowaluk, Elizabeth A.,Wismer, Carol T.,Mikusa, Joe,Yu, Haixia,Kohlhaas, Kathy,Jarvis, Michael F.,Bhagwatt, Shripad S.

, p. 3639 - 3648 (2007/10/03)

Adenosine (ADO) is an extracellular signaling molecule within the central and peripheral nervous system. Its concentration is increased at sites of tissue injury and inflammation. One of the mechanisms by which antinociceptive and antiinflammatory effects of ADO can be enhanced consists of inhibition of adenosine kinase (AK), the primary metabolic enzyme for ADO. Novel nonnucleoside AK inhibitors based on 4-amino-6-alkynylpyrimidines were prepared, and the importance of the length of the linker at the 5-position for high affinity AK inhibition was demonstrated. Compounds with 2- and 3-atom linkers were the most potent AK inhibitors. Optimization of their physicochemical properties led to 31a and 37a that effectively reduced pain and inflammation in animal models.

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