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954241-01-1

5,6-Dihydroxy-2-isopropyl-pyrimidine-4-carboxylic acid methyl ester is a chemical compound with a molecular formula C10H15N3O4. It is a methyl ester of the pyrimidine-4-carboxylic acid with two hydroxyl groups and an isopropyl substituent at position 2 of the pyrimidine ring. 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER has potential applications in medicinal chemistry, particularly in the development of pharmaceuticals and drug discovery. It may also have use as an intermediate in the synthesis of other organic compounds. Additionally, it is important to handle this chemical with caution and adhere to safety guidelines, as it may pose health and environmental risks if not properly managed.

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  • 5,6-Dihydroxy-2-isopropyl-pyrimidine-4-carboxylic acid methyl ester

    Cas No: 954241-01-1

  • USD $ 1.9-2.9 / Gram

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  • 954241-01-1 Structure

  • Basic information

    1. Product Name: 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
    2. Synonyms: 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER;methyl 5,6-dihydroxy-2-isopropylpyrimidine-4-carboxylate
    3. CAS NO:954241-01-1
    4. Molecular Formula: C9H12N2O4
    5. Molecular Weight: 212.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 954241-01-1.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: 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER(954241-01-1)
    11. EPA Substance Registry System: 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER(954241-01-1)

  • 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: 954241-01-1(Hazardous Substances Data)

954241-01-1 Usage

Uses

Used in Pharmaceutical Industry:
5,6-Dihydroxy-2-isopropyl-pyrimidine-4-carboxylic acid methyl ester is used as a pharmaceutical intermediate for the development of new drugs. Its unique structure and functional groups make it a promising candidate for the synthesis of various medicinal compounds.
Used in Drug Discovery:
5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER is used in drug discovery processes to identify potential therapeutic agents. Its chemical properties and reactivity can be exploited to design and synthesize novel drug molecules with improved efficacy and selectivity.
Used in Organic Synthesis:
5,6-Dihydroxy-2-isopropyl-pyrimidine-4-carboxylic acid methyl ester is used as an intermediate in the synthesis of other organic compounds. Its versatile structure allows for further functionalization and modification, enabling the creation of a wide range of chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 954241-01-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,4,2,4 and 1 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 954241-01:
(8*9)+(7*5)+(6*4)+(5*2)+(4*4)+(3*1)+(2*0)+(1*1)=161
161 % 10 = 1
So 954241-01-1 is a valid CAS Registry Number.

954241-01-1SDS

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 methyl 5-hydroxy-4-oxo-2-propan-2-yl-1H-pyrimidine-6-carboxylate

1.2 Other means of identification

Product number -
Other names 5,6-DIHYDROXY-2-ISOPROPYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

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:954241-01-1 SDS

954241-01-1Relevant articles and documents

Development of a Raltegravir-based Photoaffinity-Labeled Probe for Human Immunodeficiency Virus-1 Integrase Capture

Pala, Nicolino,Esposito, Francesca,Tramontano, Enzo,Singh, Pankaj Kumar,Sanna, Vanna,Carcelli, Mauro,Haigh, Lisa D.,Satta, Sandro,Sechi, Mario

supporting information, p. 1986 - 1992 (2020/11/09)

Photoaffinity labeling (PAL) is one of the upcoming and powerful tools in the field of molecular recognition. It includes the determination of dynamic parameters, such as the identification and localization of the target protein and the site of drug binding. In this study, a photoaffinity-labeled probe for full-length human immunodeficiency virus-1 integrase (HIV-1 IN) capture was designed and synthesized, following the structure of the FDA-approved drug Raltegravir. This photoprobe was found to retain the HIV IN inhibitory potential in comparison with its parent molecule and demonstrates the ability to label the HIV-1 IN protein. Putative photoprobe/inhibitor binding sites near the catalytic site were then identified after protein digestion coupled to mass and molecular modeling analyses.

Investigating the role of metal chelation in HIV-1 integrase strand transfer inhibitors

Bacchi, Alessia,Carcelli, Mauro,Compari, Carlotta,Fisicaro, Emilia,Pala, Nicolino,Rispoli, Gabriele,Rogolino, Dominga,Sanchez, Tino W.,Sechi, Mario,Sinisi, Valentina,Neamati, Nouri

experimental part, p. 8407 - 8420 (2012/02/14)

HIV-1 integrase (IN) has been validated as an attractive target for the treatment of HIV/AIDS. Several studies have confirmed that the metal binding function is a crucial feature in many of the reported IN inhibitors. To provide new insights on the metal

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