1-(4-chloropyridin-2-yl)-2-phenylethan-1-one | 872459-77-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-chloropyridin-2-yl)-2-phenylethan-1-one
• 英文别名: 1-(4-Chloro-2-pyridinyl)-2-phenyl-ethanone；1-(4-chloropyridin-2-yl)-2-phenylethanone
• CAS: 872459-77-3
• 化学式: C₁₃H₁₀ClNO
• 分子量: 231.681
• InChiKey: BYQRTCMXPRVIFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-chloropyridin-2-yl)-2-phenylethan-1-one 在 盐酸羟胺 、 三氟乙酸 、 锌 作用下， 以 甲醇 为溶剂， 反应 15.5h， 生成 1-(4-chloropyridin-2-yl)-2-phenylethan-1-amine
  参考文献：
  名称：

  口服可生物利用的基于吡啶和嘧啶的因子XIa抑制剂：发现N-苯基氨基甲酸酯甲基P2素基。

  摘要：

  基于吡啶的因子XIa（FXIa）抑制剂（S）-2通过修饰P2素，P1和支架区域进行了优化。这项工作导致发现了N-苯基氨基甲酸酯甲基P2素基，与氨基吲唑P2素基相比，该基团保持FXIa活性，减少了H键供体的数量并改善了理化特性。化合物（S）-17被鉴定为口服生物有效的有效FXIa抑制剂。（S）-17中的碱性环己基甲胺P1被中性对氯苯基四唑P1取代导致发现（S）-24，与先前报道的咪唑（S）-23相比，口服生物利用度显着提高。FXIa结合亲和力的其他改进，同时保持口服生物利用度，

  DOI：

  10.1016/j.bmc.2016.03.062
• 作为产物：
  描述：

  1-trimethylsiloxy-2-phenyl-1-[2-(4-chloropyridine)]ethene 以 氯仿 为溶剂， 生成 1-(4-chloropyridin-2-yl)-2-phenylethan-1-one
  参考文献：
  名称：

  1,4-Silatropy of S-α-Silylbenzyl Thioesters:  A Convenient Route to Silyl Enol and Dienol Ethers Accompanied by C−C Bond Formation via Thiocarbonyl Ylides

  摘要：

  A novel convenient method for the generation of thiocarbonyl ylides from readily accessible starting materials and the first synthetic application of in situ generated ylides in the synthesis of silyl enol and dienol ethers, accompanied by C-C bond formation, is described. Under completely neutral conditions without any catalyst or additive, thermal reactions of S-alpha-silylbenzyl thioesters in sealed tubes at 180 degreesC provided silyl enol and dienol ethers in good to excellent yields with high stereoselectivities. This procedure consists of a multistep reaction in a one-pot process, i.e., 1,4-silatropy of S-alpha-silylbenzyl thioesters to give thiocarbonyl ylides, 1,3-electrocyclization of the ylides to give thiiranes, and the extrusion of sulfur from thiiranes to give silyl enol and dienol ethers.

  DOI：

  10.1021/jo026211z

文献信息

• [EN] PHOSPHONATE CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS DE PHOSPHONATE ET LEURS UTILISATIONS
  申请人：TRANSLATIONAL GENOMICS RES INST

  公开号：WO2020150307A1

  公开（公告）日：2020-07-23

  Phosphonate conjugates, preferably, bisphosphonate conjugates; methods of inhibiting Ron receptor tyrosine kinase and methods of treatment of bone destruction due to cancer or other conditions utilizing the provided phosphonate conjugates.

  磷酸酯共轭物，最好是双磷酸酯共轭物；抑制Ron受体酪氨酸激酶的方法以及利用所提供的磷酸酯共轭物治疗因癌症或其他疾病导致的骨破坏的方法。
• [EN] SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS<br/>[FR] HETEROCYCLES A SIX CHAINONS CONVENANT COMME INHIBITEURS DES SERINE PROTEASES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005123680A1

  公开（公告）日：2005-12-29

  The present invention provides compounds of Formula (I) or a stereoisomer or pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L, Z, X1, X2, X3, X4, and X5 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物或其立体异构体或药用可接受的盐或溶剂形式，其中变量A、L、Z、X1、X2、X3、X4和X5如本文所定义。式（I）的化合物可用作凝血级联和/或接触活化系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、因子Xa、因子XIa、因子IXa、因子VIIa和/或血浆激肽。具体而言，涉及选择性因子XIa抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• Six-membered heterocycles useful as serine protease inhibitors
  申请人：Corte R. James

  公开号：US20060009455A1

  公开（公告）日：2006-01-12

  The present invention provides compounds of Formula (I): or a stereoisomer or pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L, Z, X 1 , X 2 , X 3 , X 4 , and X 5 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了公式（I）的化合物：或其立体异构体或药学上可接受的盐或溶剂形式，其中变量A、L、Z、X1、X2、X3、X4和X5的定义如本文所述。公式（I）的化合物可用作凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、因子Xa、因子XIa、因子IXa、因子VIIa和/或血浆卡利肌酶。特别地，它涉及选择性因子XIa抑制剂的化合物。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS
  申请人：Pinto Donald J.P.

  公开号：US20100022506A1

  公开（公告）日：2010-01-28

  The present invention provides compounds of Formula (I): or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L 1 , M and R 11 are as defined herein. The compounds of Formula (I) are selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了公式(I)的化合物：或其立体异构体、互变异构体、药学上可接受的盐或溶剂形式，其中变量A、L1、M和R11如本文所定义。公式(I)的化合物是凝血级联反应和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、因子Xa、因子XIa、因子IXa、因子VIIa和/或血浆激肽酶。特别是，涉及到选择性因子XIa抑制剂或fXIa和血浆激肽酶的双重抑制剂的化合物。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓性和/或炎症性疾病的方法。
• An Efficient Chemoenzymatic Route to Biologically Active Pyridinic Amines
  作者：Ramón Liz、Martín Mejuto、Francisca Rebolledo

  DOI：10.1002/ejoc.202300808

  日期：2023.12

  have been prepared by means of a chemoenzymatic route starting from 1,2-disubstituted ethanones. Two features of the strategy need to be he highlighted: the highly enantioselective ketoreductase (KRED)-catalyzed reduction of the starting ketones, and the efficient transformation of the resulting optically active alcohols into the target primary amines.

  以1,2-二取代乙酮为原料，通过化学酶法制备了一系列光学活性吡啶和二吡啶乙胺。该策略的两个特点需要强调：高度对映选择性酮还原酶（KRED）催化起始酮的还原，以及将所得光学活性醇有效转化为目标伯胺。