100119-45-7 Usage
Description
4-phenyltetrahydropyran-4-carbonyl chloride is a chemical compound with the molecular formula C14H15ClO2. It is derived from tetrahydropyran, a six-membered heterocyclic compound, and contains a carbonyl chloride functional group at the 4-position of the tetrahydropyran ring. 4-phenyltetrahydropyran-4-carbonyl chloride is known for its versatile reactivity and utility in chemical synthesis, making it a valuable compound in the field of organic chemistry.
Uses
Used in Pharmaceutical Industry:
4-phenyltetrahydropyran-4-carbonyl chloride is used as an intermediate in organic synthesis for the production of pharmaceuticals. Its ability to undergo various chemical reactions, such as acyl substitution and nucleophilic addition, allows for the formation of a wide range of other organic compounds, contributing to the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical industry, 4-phenyltetrahydropyran-4-carbonyl chloride serves as an intermediate in the synthesis of various agrochemicals. Its reactivity and functional group make it suitable for creating compounds that can be used in pesticides, herbicides, and other agricultural products to enhance crop protection and yield.
Check Digit Verification of cas no
The CAS Registry Mumber 100119-45-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,1,1 and 9 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 100119-45:
(8*1)+(7*0)+(6*0)+(5*1)+(4*1)+(3*9)+(2*4)+(1*5)=57
57 % 10 = 7
So 100119-45-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H13ClO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
100119-45-7Relevant articles and documents
Achiral Derivatives of Hydroxamate AR-42 Potently Inhibit Class i HDAC Enzymes and Cancer Cell Proliferation
Tng, Jiahui,Lim, Junxian,Wu, Kai-Chen,Lucke, Andrew J.,Xu, Weijun,Reid, Robert C.,Fairlie, David P.
supporting information, p. 5956 - 5971 (2020/06/05)
AR-42 is an orally active inhibitor of histone deacetylases (HDACs) in clinical trials for multiple myeloma, leukemia, and lymphoma. It has few hydrogen bond donors and acceptors but is a chiral 2-arylbutyrate and potentially prone to racemization. We report achiral AR-42 analogues incorporating a cycloalkyl group linked via a quaternary carbon atom, with up to 40-fold increased potency against human class I HDACs (e.g., JT86, IC50 0.7 nM, HDAC1), 25-fold increased cytotoxicity against five human cancer cell lines, and up to 70-fold less toxicity in normal human cells. JT86 was ninefold more potent than racAR-42 in promoting accumulation of acetylated histone H4 in MM96L melanoma cells. Molecular modeling and structure-activity relationships support binding to HDAC1 with tetrahydropyran acting as a hydrophobic shield from water at the enzyme surface. Such potent inhibitors of class I HDACs may show benefits in diseases (cancers, parasitic infections, inflammatory conditions) where AR-42 is active.
