2-氯-3-(氯甲基)吡啶盐酸盐 | 106651-82-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯-3-(氯甲基)吡啶盐酸盐
• 英文名称: 2-chloro-3-chloromethyl-pyridine hydrochloride
• 英文别名: 2-Chloro-3-(chloromethyl)pyridine hydrochloride；2-chloro-3-(chloromethyl)pyridine;hydrochloride
• CAS: 106651-82-5
• 化学式: C₆H₅Cl₂N*ClH
• mdl: MFCD12923209
• 分子量: 198.479
• InChiKey: BAGKULABRRMPMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  12.9
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-氯-3-(氯甲基)吡啶盐酸盐 在 氢氧化钾 、 三乙胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 4.5h， 生成 1,2-dihydro-2-[3-(2-chloropyridyl)methyl]-3H-indazol-3-one
  参考文献：
  名称：

  Indazolinones, a new series of redox-active 5-lipoxygenase inhibitors with built-in selectivity and oral activity

  摘要：

  Since the hypothetical mechanisms of hydroperoxydation of arachidonic acid by, respectively, 5-lipoxygenase (5-LPO) and cyclooxygenase (CO) involve a redox cycle, a compound which reduces 5-LPO and CO to their inactive state would give a nonselective inhibitor of both enzymes. Structural modifications of such a compound could be expected to give improved potency and selectivity for 5-LPO and oral activity. Such an approach has led to the discovery of 1,2-dihydroindazol-3-ones which are potent 5-LPO inhibitors with various degrees of selectivity. Structure-activity relationship studies indicated that while N-1,N-2-unsubstituted and N-1-substituted derivatives are orally inactive, N-2-alkyl derivatives are orally active and inhibit both 5-LPO and CO. In contrast, N-2-benzyl derivatives are selective for 5-LPO but possess only weak oral activity. Further structural modifications have identified ICI 207968 [1,2-dihydro-2-(3-pyridylmethyl)-3H-indazol-3-one, 21a] which combines potent oral activity and high selectivity. Methemoglobin (MHb) induction by 21a in dog blood precluded its development for clinical use. Attempts at dissociating 5-LPO inhibitory properties and MHb formation showed that MHb formation in vitro seemed to be related to the redox potential of the compounds whereas 5-LPO inhibition was not. This study led to a series of 4-(N-n-pentylcarbamoyl)indazolinones which maintained in vitro 5-LPO potency but did not induce MHb.

  DOI：

  10.1021/jm00107a023
• 作为产物：
  描述：

  2-氯-3-吡啶甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 以11.25 g的产率得到2-氯-3-(氯甲基)吡啶盐酸盐
  参考文献：
  名称：

  [EN] PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF VOXELOTOR
  [FR] PROCÉDÉ ET INTERMÉDIAIRES POUR LA SYNTHÈSE DE VOXÉLOTOR

  摘要：

  这项发明涉及根据以下方案（公式1）制备Voxelotor或其盐或溶剂的过程。

  公开号：

  WO2020127945A1

文献信息

• [EN] PROCESS AND INTERMEDIATES FOR THE PREPARATION OF VOXELOTOR<br/>[FR] PROCÉDÉ ET INTERMÉDIAIRES POUR LA PRÉPARATION DE VOXÉLOTOR
  申请人：BIONICE S L U

  公开号：WO2020127924A1

  公开（公告）日：2020-06-25

  The invention relates to a process for the preparation of Voxelotor, or a salt or solvate thereof, which comprises the use of a compound of formula (I) or (I'), or a salt or solvate thereof.

  这项发明涉及一种用于制备沃克索托或其盐或溶剂合物的方法，该方法包括使用化合物的公式(I)或(I')或其盐或溶剂合物。
• [EN] PROBES FOR IMAGING HUNTINGTIN PROTEIN<br/>[FR] SONDES D'IMAGERIE DE LA PROTÉINE HUNTINGTINE
  申请人：CHDI FOUNDATION INC

  公开号：WO2016033445A1

  公开（公告）日：2016-03-03

  Provided are imaging agents comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof, and methods of their use.

  提供了包含化合物I式或其药用可接受盐的成像试剂，以及它们的使用方法。
• Quinoline derivatives
  申请人：——

  公开号：US20020198194A1

  公开（公告）日：2002-12-26

  Quinoline derivatives are useful as neuropeptide Y (NPY) receptor ligands and are particularly effective as neuropeptide Y (NPY) antagonists. These compounds are useful in pharmaceutical preparations for the treatment or prevention of arthritis, cardiovascular diseases, diabetes, renal failure, eating disorders, or obesity.

  喹啉衍生物在神经肽Y（NPY）受体配体中很有用，特别是作为神经肽Y（NPY）拮抗剂非常有效。这些化合物在制药制剂中很有用，用于治疗或预防关节炎、心血管疾病、糖尿病、肾衰竭、进食障碍或肥胖症。
• Quinazoline derivatives
  申请人：——

  公开号：US20040029901A1

  公开（公告）日：2004-02-12

  Compounds of formula I 1 as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 , R 2 , R 3 and A have the significance given in the specification are provided. The compounds can be used for the treatment or prevention of obesity.

  提供具有式I1的化合物，以及其药用可接受的盐和酯，其中R1、R2、R3和A具有规范中给定的含义。这些化合物可用于治疗或预防肥胖。
• [(3-Pyridylalkyl)piperidylidene]benzocycloheptapyridine Derivatives as Dual Antagonists of PAF and Histamine
  作者：Elena Carceller、Manuel Merlos、Marta Giral、Dolors Balsa、Carmen Almansa、Javier Bartroli、Julian Garcia-Rafanell、Javier Forn

  DOI：10.1021/jm00043a009

  日期：1994.8

  A series of [(3-pyridylalkyl)piperidylidene]- and (nicotinoylpiperidylidene)benzocycloheptapyridine derivatives, Ia,b, were prepared and evaluated for PAF antagonist and H1 antihistamine activity. PAF antagonist activity was investigated by the in vitro PAF-induced platelet aggregation assay (PPA) and the in vivo PAF-induced hypotension test in rats (PH) and mortality test in mice (PM). For the evaluation

  制备了一系列的[（3-吡啶基烷基）哌啶基]-和（烟酰基哌啶基）苯并环庚吡啶衍生物Ia，b，并评价了PAF拮抗剂和H1抗组胺活性。通过体外PAF诱导的血小板聚集测定（PPA）和体内PAF诱导的大鼠低血压测试（PH）和小鼠的死亡率测试（PM），研究了PAF拮抗剂的活性。为了评估H1抗组胺药的活性，在血压正常的大鼠中使用了体外组胺引起的豚鼠回肠试验（HC）收缩和体内组胺引起的低血压试验（HH）。使用活性过敏性休克试验在小鼠中评估了化合物的潜在抗过敏活性。这些化合物在结构上与氯雷他定（1）有关，是通过用取代的3-吡啶基甲基和烟酰基部分取代1的乙氧羰基而生成的。抗PAF和H1抗组胺活性均显示出对吡啶环中取代基的确切性质和位置的高度依赖性。结合有（5-甲基-3-吡啶基）甲基的最佳结构19（UR-12592）表现出独特的双重活性，可抑制两种PAF诱导的作用（PPA，IC50 = 3.7 microM； PH，ID50