(2-氯苄基)-肼 | 51421-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2-氯苄基)-肼
• 英文名称: [(2-chlorophenyl)methyl]hydrazine
• 英文别名: 1-(2-chlorobenzyl)hydrazine；2-chlorobenzyl hydrazine；(2-chloro-benzyl)-hydrazine；(2-Chlor-benzyl)-hydrazin；2-chlorobenzylhydrazine；(2-chlorophenyl)methylhydrazine
• CAS: 51421-13-7
• 化学式: C₇H₉ClN₂
• mdl: MFCD07643168
• 分子量: 156.615
• InChiKey: BMCMWXOVSVJGOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  (2-氯苄基)-肼 在 sodium hydroxide 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 生成 5-chloro-1'-(2-chlorobenzyl)-5',7'-dihydrospiro[indoline-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1'H)-dione
  参考文献：
  名称：

  Lead Optimization of Spiropyrazolopyridones: A New and Potent Class of Dengue Virus Inhibitors

  摘要：

  Spiropyrazolopyridone 1 was identified, as a novel dengue virus (DENY) inhibitor, from a DENV serotype 2 (DENV-2) high throughput phenotypic screen. As a general trend within this chemical class, chiral resolution of the racemate revealed that R enantiomer was significantly more potent than the S. Cell based lead optimization of the spiropyrazolopyridones focusing on improving the physico-chemical properties is described. As a result, an optimal compound 14a, with balanced in vitro potency and pharmacokinetic profile, achieved about 1.9 log viremia reduction at 3 X 50 mg/kg (bid) or 3 X 100 mg/kg (QD) oral doses in the dengue in vivo mouse efficacy model.

  DOI：

  10.1021/ml500521r
• 作为产物：
  描述：

  邻氯氯苄 在 potassium carbonate 、 一水合肼 作用下， 以 水 为溶剂， 以89%的产率得到(2-氯苄基)-肼
  参考文献：
  名称：

  由N'-（芳甲基）肼或1-（芳甲基）-2-（芳基亚甲基）肼无金属合成1,3,4-二唑

  摘要：

  摘要 报道了通过氧化脱氢从N '-（芳基甲基）酰肼或1-（芳基甲基）-2-（芳基亚甲基）肼有效且通用的无金属合成1,3,4-恶二唑。通过用乙腈中的（二乙酰氧基碘）苯处理N '-（芳基甲基）酰肼或用[[]处理1-（芳基甲基）-2-（芳基亚甲基）肼来制备一系列2,5-二取代的1,3,4-恶二唑。甲基叔丁基醚中的双（三氟乙酰氧基）碘]苯。醛N-酰基hydr和醛嗪最初是作为中间体原位生成的。 报道了通过氧化脱氢从N '-（芳基甲基）酰肼或1-（芳基甲基）-2-（芳基亚甲基）肼有效且通用的无金属合成1,3,4-恶二唑。通过用乙腈中的（二乙酰氧基碘）苯处理N '-（芳基甲基）酰肼或用[[]处理1-（芳基甲基）-2-（芳基亚甲基）肼来制备一系列2,5-二取代的1,3,4-恶二唑。甲基叔丁基醚中的双（三氟乙酰氧基）碘]苯。醛N-酰基hydr和醛嗪最初是作为中间体原位生成的。

  DOI：

  10.1055/s-0034-1379974

文献信息

• HETEROCYCLIC INHIBITORS OF MCT4
  申请人：Vettore, LLC

  公开号：US20180162822A1

  公开（公告）日：2018-06-14

  Disclosed herein are compounds and compositions useful in the treatment of MCT4 mediated diseases, such as proliferative and inflammatory diseases, having the structure of Formula I: Methods of inhibition MCT4 activity in a human or animal subject are also provided.

  本文披露了一些化合物和组合物，适用于治疗由MCT4介导的疾病，如增殖性和炎症性疾病，其结构如下所示： 还提供了在人类或动物主体中抑制MCT4活性的方法。
• [EN] MCT4 INHIBITORS FOR TREATING DISEASE<br/>[FR] INHIBITEURS DE MCT4 POUR LE TRAITEMENT DE MALADIES
  申请人：VETTORE LLC

  公开号：WO2016201426A1

  公开（公告）日：2016-12-15

  Disclosed herein are compounds and compositions useful in the treatment of MCT4 mediated diseases, such as proliferative and inflammatory diseases, having the structure of Formula I: Methods of inhibition MCT4 activity in a human or animal subject are also provided.

  本文披露了一种在治疗MCT4介导的疾病中有用的化合物和组合物，如增殖性和炎症性疾病，其具有Formula I的结构：还提供了在人类或动物主体中抑制MCT4活性的方法。
• Hydrazide and alkoxyamide angiogenesis inhibitors
  申请人：——

  公开号：US20020002152A1

  公开（公告）日：2002-01-03

  Compounds having the formula 1 are methionine aminopeptidase type 2 (MetAP2) inhibitors and are useful for inhibiting angiogenesis. Also disclosed are MetAP2-inhibiting compositions and methods of inhibiting angiogenesis in a mammal.

  具有以下化学式的化合物是蛋氨酸氨肽酶2型（MetAP2）抑制剂，对抑制血管生成有用。还公开了抑制MetAP2的组合物和在哺乳动物中抑制血管生成的方法。
• ADENOSINE A2A RECEPTOR ANTAGONISTS
  申请人：Clasby Martin C.

  公开号：US20080255156A1

  公开（公告）日：2008-10-16

  Compounds having the structural formula I or a pharmaceutically acceptable salt thereof, wherein: X 1 and X 2 are 1-3 substituents independently selected from the group consisting of H, alkyl, halo, —CF 3 , —OCF 3 , alkoxy, —OH and —CN; n is 0, 1 or 2; and R and R 1 are H or alkyl; also disclosed is the use of the compounds in the treatment of CNS diseases such as Parkinson's disease, alone or in combination with other agents for treating CNS diseases, pharmaceutical compositions comprising them and kits comprising the components of the combinations.

  具有结构式I或其药用可接受盐的化合物，其中：X1和X2分别选自H、烷基、卤、—CF3、—OCF3、烷氧基、—OH和—CN组成的1-3个取代基；n为0、1或2；R和R1为H或烷基；还公开了该化合物在治疗中枢神经系统疾病如帕金森病中的用途，单独或与其他治疗中枢神经系统疾病的药剂联合使用，包括它们的药物组合物和包含该组合物成分的工具包。
• Novel Potassium Channel Opener Prodrugs with a Slow Onset and Prolonged Duration of Action.
  作者：Haruhiko HORINO、Tetsuya MIMURA、Syozo KOBAYASHI、Masahiro OHTA、Hideo KUBO、Kuniko ITO、Mitsuyoshi TSUMURA、Masayuki KITAGAWA

  DOI：10.1248/cpb.48.490

  日期：——

  (-)-(3S, 4R, 1'R, 6'S)-4-(4-Benzyl-5-oxo-3, 4-diazabicyclo[4.1.0]hept-2-en-2-yloxy)-3, 4-dihydro-3-hydroxy-2, 2-dimethyl-2H-1-benzopyran-6-carbonitrile and its derivatives with a modified benzyl group were synthesized with the objective of discovering novel ATP-sensitive potassium channel openers (PCOs) with a slow onset of action and a reduced tendency to induce tachycardia. Among the compounds synthesized, 4-(2-chlorobenzyl) derivative 5bB had potent hypotensive activity in spontaneously hypertensive rats (SHRs). In addition, compound 5bB showed the desired pharmacological profile with a slow onset and long duration of action and induction of only mild tachycardia. Compound 5bB was found to be quantitatively metabolized in rats to give active des-2-chlorobenzyl derivative 6B. These results suggest that the incorporation of an N-benzyl group is a useful method for the preparation of prodruge, the function of which is to delay the onset and prolong the duration of action of the active substance.

  合成了(-)-(3S, 4R, 1'R, 6'S)-4-(4-苄基-5-氧代-3, 4-二氮杂双环[4.1.0]庚-2-烯-2-基氧)的-3, 4-二氢-3-羟基-2, 2-二甲基-2H-1-苯并呋喃-6-氰化物及其改性苄基衍生物，目的是发现新的ATP敏感钾通道激活剂（PCOs），具有缓慢起效和减少诱发心动过速的倾向。在合成的化合物中，4-(2-氯苄基)衍生物5bB在自发性高血压大鼠（SHRs）中显示出强效的降压活性。此外，化合物5bB表现出理想的药理特性，具有缓慢起效和持久的作用，仅诱发轻微的心动过速。研究发现，化合物5bB在大鼠中被定量代谢为活性去-2-氯苄基衍生物6B。这些结果表明，N-苄基团的引入是一种有效的方法，用于制备前药，其功能是延迟活性物质的起效时间并延长其作用持续时间。