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.
31417773
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.
crystal structure, perfluoropyridine
Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines
Andrew J. Peloquin,a Cynthia A. Corley,a Sonya K. Adas,a Gary J. Balaich,a and Scott T. Iaconoa,*
2019 Aug 1;
31516945
The shared data is the unpublished portion of the experimental section for the article with the title “NHC-Au(I) catalyzed enantioselective intramolecular [4 + 3] cycloaddition of furan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
NHC-gold(I) complexes, Cycloaddition, Enantioselective, DFT calculation
Dataset of asymmetric intramolecular [4+3] cycloaddition reactions catalyzed by NHC-gold(I) complexes
Ruoyu Ma,a Jianbo Yang,a Steven Kelley,b and Benjamin W. Gunga,∗
2019 Oct
31465470
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.
Treatment sequences for advanced renal cell carcinoma: A health economic assessment
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
2019;
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