Dataset Information

4,5-Dichloro-2H-1,3-oxazine-2,6(3H)-dione.

ABSTRACT: In the title compound, C(4)HCl(2)NO(3), the essentially planar (maximum deviation = 0.023?Å for the ring O atom) mol-ecules form N-H?O hydrogen bonds between mol-ecules lying about inversion centers, forming eight-membered rings with an R(2) (2)(8) motif in graph-set notation.

SUBMITTER: Parrish D

PROVIDER: S-EPMC2970364 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Publications

4,5-Dichloro-2H-1,3-oxazine-2,6(3H)-dione.

Parrish Damon D Glass Brian B Rehberg Gretchen M GM Kastner Margaret E ME

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

In the title compound, C(4)HCl(2)NO(3), the essentially planar (maximum deviation = 0.023 Å for the ring O atom) mol-ecules form N-H⋯O hydrogen bonds between mol-ecules lying about inversion centers, forming eight-membered rings with an R(2) (2)(8) motif in graph-set notation. ...[more]

PMID: 21577825

Similar Datasets

Project description:Genetic and environmental factors play important roles in cancer progression, metastasis, and drug resistance. Herein, we used a multiomics data analysis to evaluate the predictive and prognostic roles of genetic and epigenetic modulation of c-MET (hepatocyte growth factor receptor)/epidermal growth factor receptor (EGFR) in colorectal cancer (CRC). First, we found that overexpressions of c-MET/EGFR were associated with the infiltration of tumor immune cells and cancer-associated fibroblasts, and were of prognostic relevance in CRC cohorts. We also observed that genetic alterations of c-MET/EGFR in CRC co-occurred with other gene alterations and were associated with overexpression of messenger (m)RNA of some cancer hallmark proteins. More specifically, DNA-methylation and somatic copy number alterations of c-MET/EGFR were associated with immune infiltration, dysfunctional T-cell phenotypes, and poor prognoses of the cohorts. Moreover, we describe two novel gefitinib-inspired small molecules derivatives of 3-phenyl-2H-benzo[e] [1,3]-oxazine-2,4(3H)-dione, NSC777205 and NSC777207, which exhibited wide-spectrum antiproliferative activities and selective cytotoxic preference for drug-sensitive and multidrug-resistant melanoma, renal, central nervous system, colon, and non-small cell lung cancer cell lines. We further provided in silico mechanistic evidence implicating c-MET/EGFR/phosphatidylinositol 3-kinase (PI3K)-mammalian target of rapamycin (mTOR) inhibition in anticancer activities of those compounds. Our overall structure-activity relationship study revealed that the addition of an -OCH3 group to salicylic core of NSC777207 was not favorable, as the added moiety led to overall less-favorable drug properties as well as weaker anticancer activities compared to the properties and activities demonstrated by NSC777205 that has no -OCH3 substituent group. Further in vitro and in vivo analyses in tumor-bearing mice are ongoing in our lab to support this claim and to unravel the full therapeutic efficacies of NSC777205 and NSC777207 in CRC.

Dataset Information

4,5-Dichloro-2H-1,3-oxazine-2,6(3H)-dione.

Publications

4,5-Dichloro-2H-1,3-oxazine-2,6(3H)-dione.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure