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Bryonamide A

$576

  • Brand : BIOFRON

  • Catalogue Number : BN-O0975

  • Specification : 98%(HPLC)

  • CAS number : 75268-14-3

  • Formula : C9H11NO3

  • Molecular Weight : 181.2

  • PUBCHEM ID : 156588

  • Volume : 5mg

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Catalogue Number

BN-O0975

Analysis Method

HPLC,NMR,MS

Specification

98%(HPLC)

Storage

2-8°C

Molecular Weight

181.2

Appearance

Powder

Botanical Source

Structure Type

Alkaloids

Category

Standards;Natural Pytochemical;API

SMILES

C1=CC(=CC=C1C(=O)NCCO)O

Synonyms

bryonamide A

IUPAC Name

4-hydroxy-N-(2-hydroxyethyl)benzamide

Density

1.273g/cm3

Solubility

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Flash Point

226.7ºC

Boiling Point

451.2ºC at 760 mmHg

Melting Point

InChl

InChI=1S/C9H11NO3/c11-6-5-10-9(13)7-1-3-8(12)4-2-7/h1-4,11-12H,5-6H2,(H,10,13)

InChl Key

KSTDBMBMMLISJA-UHFFFAOYSA-N

WGK Germany

RID/ADR

HS Code Reference

2924290000

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:75268-14-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

31417773

Abstract

Five new crystal structures of perfluoro­pyridine substituted in the 4-position with phen­oxy, 4-bromo­phen­oxy, naphthalen-2-yl­oxy, 6-bromo­naphthalen-2-yl­oxy, and 4,4′-biphen­oxy are reported, viz. 2,3,5,6-tetra­fluoro-4-phen­oxy­pyridine, C11H5F4NO (I), 4-(4-bromo­phen­oxy)-2,3,5,6-tetra­fluoro­pyridine, C11H4BrF4NO (II), 2,3,5,6-tetra­fluoro-4-[(naphthalen-2-yl)­oxy]pyridine, C15H7F4NO (III), 4-[(6-bromo­naphthalen-2-yl)­oxy]-2,3,5,6-tetra­fluoropyridine, C15H6BrF4NO (IV), and 2,2′-bis­[(perfluoro­pyridin-4-yl)­oxy]-1,1′-biphenyl, C22H8F8N2O2 (V). The dihedral angles between the aromatic ring systems in I-IV are 78.74 (8), 56.35 (8), 74.30 (7), and 64.34 (19)°, respectively. The complete mol­ecule of V is generated by a crystallographic twofold axis: the dihedral angle between the pyridine ring and adjacent phenyl ring is 80.89 (5)° and the equivalent angle between the biphenyl rings is 27.30 (5)°. In each crystal, the packing is driven by C—H⋯F inter­actions, along with a variety of C—F⋯π, C—H⋯π, C—Br⋯N, C—H⋯N, and C—Br⋯π contacts. Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing.

KEYWORDS

crystal structure, perfluoro­pyridine

Title

Crystal structures and Hirshfeld surface analysis of a series of 4-O-aryl­perfluoro­pyridines

Author

Andrew J. Peloquin,a Cynthia A. Corley,a Sonya K. Adas,a Gary J. Balaich,a and Scott T. Iaconoa,*

Publish date

2019 Aug 1;

PMID

31516945

Abstract

The shared data is the unpublished portion of the experimental section for the article with the title “NHC-Au(I) catalyzed enantioselective intramolecular [4 + 3] cycloaddition of furan propargyl esters”.[1] The preparation of the intermediates for chiral NHC-gold(I) complexes and the furan propargyl ester substrates are included in this article. The 1H NMR and 13C NMR spectra of the gold complexes 17a-19c and the X-ray crystal data of 17a, 18a and cycloaddition product 24 are also provided in this article or in Mendeley Data. Finally, the chiral HPLC spectra used to determine enantiomeric excess and Cartesian coordinates of the optimized structure of 25 and 26 calculated by DFT calculation are also presented in the article

KEYWORDS

NHC-gold(I) complexes, Cycloaddition, Enantioselective, DFT calculation

Title

Dataset of asymmetric intramolecular [4+3] cycloaddition reactions catalyzed by NHC-gold(I) complexes

Author

Ruoyu Ma,a Jianbo Yang,a Steven Kelley,b and Benjamin W. Gunga,∗

Publish date

2019 Oct

PMID

31465470

Abstract

Objective
Advanced renal cell carcinoma (RCC) is commonly treated with vascular endothelial growth factor or mammalian target of rapamycin inhibitors. As new therapies emerge, interest grows in gaining a deeper understanding of treatment sequences. Recently, we developed a patient-level, discretely integrated condition event (DICE) simulation to estimate survival and lifetime costs for various cancer therapies, using a US payer perspective. Using this model, we explored the impact of treatments such as nivolumab and cabozantinib, and compared the clinical outcomes and cost consequences of commonly used treatment algorithms for patients with advanced RCC.

Methods
Included treatment sequences were pazopanib or sunitinib as first-line treatment, followed by nivolumab, cabozantinib, axitinib, pazopanib or everolimus. Efficacy inputs were derived from the CheckMate 025 trial and a network meta-analysis based on available literature. Safety and cost data were obtained from publicly available sources or literature.

Results
Based on our analysis, the average cost per life-year (LY) was lowest for sequences including nivolumab (sunitinib → nivolumab, $75,268/LY; pazopanib → nivolumab, $84,459/LY) versus axitinib, pazopanib, everolimus and cabozantinib as second-line treatments. Incremental costs per LY gained were $49,592, $73,927 and $30,534 for nivolumab versus axitinib, pazopanib and everolimus-containing sequences, respectively. The model suggests that nivolumab offers marginally higher life expectancy at a lower cost versus cabozantinib-including sequences.

Conclusion
Treatment sequences using nivolumab in the second-line setting are less costly compared with sequential use of targeted agents. In addition to efficacy and safety data, cost considerations may be taken into account when considering treatment algorithms for patients with advanced RCC.

Title

Treatment sequences for advanced renal cell carcinoma: A health economic assessment

Author

Baris Deniz, Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Supervision, Validation, Visualization, Writing - original draft, Writing - review & editing,1,* Apoorva Ambavane, Conceptualization, Data curation, Formal analysis, Methodology, Project administration, Supervision, Validation, Visualization, Writing - review & editing,2 Shuo Yang, Conceptualization, Investigation, Project administration, Resources, Supervision, Validation, Writing - original draft, Writing - review & editing,3 Arman Altincatal, Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Supervision, Validation, Visualization, Writing - review & editing,1 Justin Doan, Validation, Writing - review & editing,3 Sumati Rao, Conceptualization, Investigation, Resources, Writing - review & editing,3 and M. Dror Michaelson, Data curation, Formal analysis, Writing - review & editing4

Publish date

2019;


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