127232-41-1

Basic information

• Product Name: 5-ISOXAZOLEMETHANOL
• Synonyms: OXAZOLE-5-METHANOL;5-ISOXAZOLEMETHANOL;AKOS PAO-1429;ISOXAZOL-5-YL-METHANOL;5-(Hydroxymethyl)-1,3-oxazole;5-(Hydroxymethyl)-1,3-oxazole 95%;1,3-Oxazol-5-methanol;1,3-Oxazol-5-ylmethanol
• CAS NO: 127232-41-1
• Molecular Formula: C₄H₅NO₂
• Molecular Weight: 99.09
• Product Categories: blocks;Oxazoles
• Mol File: 127232-41-1.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 212.785 °C at 760 mmHg
• Flash Point: 82.49 °C
• Appearance: /
• Density: 1.25 g/cm³
• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.494
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: 13.41±0.10(Predicted)
• CAS DataBase Reference: 5-ISOXAZOLEMETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ISOXAZOLEMETHANOL(127232-41-1)
• EPA Substance Registry System: 5-ISOXAZOLEMETHANOL(127232-41-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39
• Hazardous Substances Data: 127232-41-1(Hazardous Substances Data)

Usage

General Description

5-Isoxazolemethanol is a chemical compound with the molecular formula C4H5NO2. It is a white crystalline solid and is commonly used as a building block in the synthesis of pharmaceuticals and other organic compounds. It has a wide range of applications in the pharmaceutical industry, such as in the production of anti-inflammatory drugs, antibiotics, and antifungal agents. 5-Isoxazolemethanol is also used as a reagent in organic synthesis and as a solvent in various chemical reactions. It is important to handle 5-Isoxazolemethanol with caution, as it can be hazardous if ingested, inhaled, or comes into contact with the skin or eyes. Overall, 5-Isoxazolemethanol is a versatile compound with numerous uses in the chemical and pharmaceutical industries.

InChI:InChI=1/C4H5NO2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2

Upstream product

• 121432-12-0 methyl oxazole-5-carboxylate 
• 916810-54-3 {2-[triisopropylsilyl]-1,3-oxazol-5-yl}methanol 
• 75-09-2 dichloromethane 
• 118994-86-8 oxazole-5-carbaldehyde 
• 118994-89-1 oxazol-5-yl-carboxylic acid ethyl ester 

Downstream Products

• 127232-42-2 5-(bromomethyl)-1,3-oxazole 
• 1421837-22-0 N-((4-chlorophenyl)(phenyl)methyl)-2-(4-(oxazol-5-ylmethoxy)phenyl)acetamide 
• 165315-68-4 carbonic acid 4-nitro-phenyl ester oxazol-5-ylmethyl ester 
• 916810-55-4 5-({[(tert-butyl)(diphenyl)silyl]oxy}methyl)-1,3-oxazole 
• 916810-59-8 5-{[(phenylmethyl)oxy]methyl}-1,3-oxazole 
• 172649-57-9 5-(chloromethyl)oxazole 
• 118994-86-8 oxazole-5-carbaldehyde 

Relevant articles and documents

Compounds and methods of use

Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein X1, X2, X3, X4, Y, A, L1, L2, R1, R2, R5, m and n are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120

We are continuing our concerted effort to optimize our first lead entry antagonist, NBD-11021, which targets the Phe43 cavity of the HIV-1 envelope glycoprotein gp120, to improve antiviral potency and ADMET properties. In this report, we present a structure-based approach that helped us to generate working hypotheses to modify further a recently reported advanced lead entry antagonist, NBD-14107, which showed significant improvement in antiviral potency when tested in a single-cycle assay against a large panel of Env-pseudotyped viruses. We report here the synthesis of twenty-nine new compounds and evaluation of their antiviral activity in a single-cycle and multi-cycle assay to derive a comprehensive structure-activity relationship (SAR). We have selected three inhibitors with the high selectivity index for testing against a large panel of 55 Env-pseudotyped viruses representing a diverse set of clinical isolates of different subtypes. The antiviral activity of one of these potent inhibitors, 55 (NBD-14189), against some clinical isolates was as low as 63 nM. We determined the sensitivity of CD4-binding site mutated-pseudoviruses to these inhibitors to confirm that they target HIV-1 gp120. Furthermore, we assessed their ADMET properties and compared them to the clinical candidate attachment inhibitor, BMS-626529. The ADMET data indicate that some of these new inhibitors have comparable ADMET properties to BMS-626529 and can be optimized further to potential clinical candidates.

SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS

The present invention refers to novel substituted thiazole and oxazole compounds of formula (I) having P2X7 receptor (P2X7) antagonistic properties. The compounds are useful in the treatment or prophylaxis of diseases associated with P2X7 receptor activity in animals, in particular humans.