Isoxazole (Standard)

CAT: 0804-HY-W010649R-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W010649R-01Size:50 mg

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Description

Amfenac (Sodium Hydrate) (Standard) is the analytical standard of Amfenac (Sodium Hydrate) . This product is intended for research and analytical applications. Amfenac Sodium Hydrate is a COX-2 inhibitor.

CAS Number

288-14-2

UNSPSC

12352005

Target

Antibiotic; ATP-binding cassette (ABC) transporters; Bacterial; Epigenetic Reader Domain; Fungal; HSP; Reference Standards

Related Pathways

Anti-infection; Cell Cycle/DNA Damage; Epigenetics; Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Others

Field of Research

Cancer; Infection; Metabolic Disease; Inflammation/Immunology

Smiles

C1=CON=C1

Molecular Formula

C3H3NO

Molecular Weight

69.06

References & Citations

[1]Zhu J, et al. The recent progress of isoxazole in medicinal chemistry. Bioorg Med Chem. 2018 Jul 23;26 (12) :3065-3075. |[2]Sysak A, et al. Isoxazole ring as a useful scaffold in a search for new therapeutic agents. Eur J Med Chem. 2017 Sep 8;137:292-309. |[3]Norman BH, et al. Tricyclic isoxazoles are novel inhibitors of the multidrug resistance protein (MRP1) [J]. Bioorg Med Chem Lett. 2002 Mar 25;12 (6) :883-6.|[4]Agrawal N, Mishra P. The synthetic and therapeutic expedition of isoxazole and its analogs[J]. Med Chem Res. 2018;27 (5) :1309-1344.|[5]Kalwat MA, et al. Isoxazole Alters Metabolites and Gene Expression, Decreasing Proliferation and Promoting a Neuroendocrine Phenotype in β-Cells. ACS Chem Biol. 2016 Apr 15;11 (4) :1128-36.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Isoxazole

Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.

CAS Number	288-14-2
PubChem CID	9254
IUPAC Name	1,2-oxazole
Molecular Formula	C3H3NO
Molecular Weight	69.06
XLogP	0.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	30

SMILES

C1=CON=C1

InChI

InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H

InChIKey

CTAPFRYPJLPFDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 288-14-2

CID: 9254

Formula: C3H3NO

MW: 69.06

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	69.06
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	69.021463719
Monoisotopic Mass	69.021463719
Topological Polar Surface Area	26 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA1123-50000	Isoxazole
FB168664-01	Biotinylated isoxazole
GTR19154410-01	Biotin-isoxazole
239045-01	Isoxazole 99+%
BDA63220-01	3- (Bromomethyl) isoxazole
abx182501-01	Isoxazole-3-carbonitrile
OR939638-01	5- (Bromomethyl) isoxazole
OR1035146-01	3- (Chloromethyl) isoxazole
AR-C04034-01	Cefdinir isoxazole analog

Isoxazole (Standard)

Chemical Information

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