structure of 2,2-dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

2,2-dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

CAS No.: 1002726-59-1
M. Wt: 223.186
M. Fa: C9H9N3O4
InChI Key: QPNDHHGIJAMRMD-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1002726-59-1

CAS Number

1002726-59-1

EC Number

800-274-9

MDL Number

MFCD10000811

IUPAC Name

2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one

InChI

InChI=1S/C9H9N3O4/c1-9(2)8(13)11-7-5(16-9)3-4-6(10-7)12(14)15/h3-4H,1-2H3,(H,10,11,13)

InChIKey

QPNDHHGIJAMRMD-UHFFFAOYSA-N

Canonical SMILES

CC1(C(=O)NC2=C(O1)C=CC(=N2)[N+](=O)[O-])C

UNSPSC Code

12352100

Physical and chemical properties of 1002726-59-1

Acidity coefficient

9.91±0.40(Predicted)

Boiling Point

451.7±45.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

223.059311

Flash Point

227.0±28.7 °C

Index of Refraction

1.561

LogP

1.94

Molecular Formula

C9H9N3O4

Molecular Weight

223.186

PSA

97.04000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±1.1 mmHg at 25°C

Safety Information of 1002726-59-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1002726-59-1

The primary applications of 2,2-dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one include:

  • Pharmaceutical Intermediates: It serves as a crucial intermediate in the synthesis of drugs like Fostamatinib, which is used to treat chronic immune thrombocytopenia .
  • Research Chemicals: Its unique structure makes it a valuable compound for research in medicinal chemistry and drug development.

Interaction Studies of 1002726-59-1

Interaction studies involving 2,2-dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one focus on its binding affinities and mechanisms of action within biological systems. Investigations into its interactions with target enzymes or receptors can provide insights into its pharmacological potential and guide further development of related compounds.

Biological Activity of 1002726-59-1

While specific biological activities of 2,2-dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one are not extensively documented, related compounds have shown promising pharmacological properties. For instance, derivatives of pyrido[3,2-b][1,4]oxazines are often investigated for their roles as enzyme inhibitors and potential therapeutic agents in treating diseases like chronic immune thrombocytopenia .

Physical sample testing spectrum (NMR) of 1002726-59-1

Physical sample testing spectrum (NMR) of 1002726-59-1