(3-氯苄基)-肼 | 51421-12-6

• 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: (3-氯苄基)-肼
• 英文名称: (3-chloro-benzyl)-hydrazine
• 英文别名: (3-Chlor-benzyl)-hydrazin；(3-Chlorobenzyl)hydrazine；(3-chlorophenyl)methylhydrazine
• CAS: 51421-12-6
• 化学式: C₇H₉ClN₂
• mdl: MFCD09744687
• 分子量: 156.615
• InChiKey: LZWGHTUFBHAOHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  (3-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'-(3-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：

  间氯氯苄 在 一水合肼 作用下， 生成 (3-氯苄基)-肼
  参考文献：
  名称：

  Koenig; Huisgen, Chemische Berichte, 1959, vol. 92, p. 429,435

  摘要：

  DOI：

文献信息

• SUBSTITUTED PYRAZOLAMIDES AND THEIR USE
  申请人：SCHOHE-LOOP Rudolf

  公开号：US20110172207A1

  公开（公告）日：2011-07-14

  The present invention relates to novel substituted pyrazolamides, methods for their preparation, their use for the treatment and/or prophylaxis of diseases, as well as their use for the manufacture of medicaments for the treatment and/or prophylaxis of diseases, especially of retroviral diseases, in humans and/or animals.

  本发明涉及新型取代吡唑酰胺，其制备方法，其用于治疗和/或预防疾病的用途，以及其用于制造用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防人类和/或动物的逆转录病毒性疾病。
• 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。
• 1-Substituted-3-amino-pyrazol-5-ones
  申请人：Bayer Aktiengesellschaft

  公开号：US03950528A1

  公开（公告）日：1976-04-13

  Pharmaceutical compositions are prepared which comprise a diuretically effective amount, a saluretically effect amount or an antihypertensive amount of a compound of the formula ##SPC1## Or a pharmaceutically acceptable non-toxic salt thereof, wherein R is aryl which is either unsubstituted or substituted by A. 1, 2 or 3 identical or different substituents selected from the group consisting of halogen, alkyl of 1 to 8 carbon atoms, alkoxy of 1 to 8 carbon atoms, alkenoxy of 2 to 6 carbon atoms, cycloalkyl of 5 to 7 carbon atoms, trifluoromethyl, trifluoromethoxy and phenyl; B. 1 or 2 identical or different substituents selected from the group consisting of nitro, cyano, lower alkylamino of 1 to 4 carbon atoms, a carbonamido moiety of the formula ##EQU1## and a sulphonamido moiety of the formula ##EQU2## wherein R.sub.1 and R.sub.2 are each hydrogen or straight or branched chain alkyl of 1 to 4 carbon atoms, or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached are linked together to form a 5-, 6- or 7-membered heterocyclic ring wherein the nitrogen atom is the only heteroatom or wherein oxygen is also present as a ring member; C. one substituent selected from the group consisting of dialkylamino of 1 to 4 carbon atoms in each alkyl moiety, nitro, cyano and SO.sub.n -alkyl of 1 to 4 carbon atoms, wherein n is 0, 1 or 2; D. one substituent selected from the group consisting of a moiety of the formula ##EQU3## wherein R.sub.1 and R.sub.2 are as above defined, nitro, cyano, a carbonamido moiety of the formula ##EQU4## wherein R.sub.1 and R.sub.2 are as above defined, a sulphonamide moiety of the formula ##EQU5## wherein R.sub.1 and R.sub.2 are as above defined, and SO.sub.n -alkyl of 1 to 4 carbon atoms, wherein n is 0, 1 or 2, and 1 or 2 substituents selected from the group consisting of alkyl of 1 to 8 carbon atoms, alkoxy of 1 to 6 carbon atoms, halogen and trifluoromethyl; E. an annellated-branched or unbranched, saturated or unsaturated, 5-, 6- or 7-membered isocyclic or heterocyclic ring having 1 or more heteroatoms selected from the group consisting of oxygen and sulphur and wherein said aryl moiety is either unsubstituted or chlorosubstituted; F. --O--(CH.sub.2).sub.n.sub.' --N(alkyl).sub.2, wherein the alkyl groups contain a total of 2 to 4 carbon atoms and n'is 2 or 3; or G. two different substituents selected from the group consisting of alkyl of 1 to 8 carbon atoms, phenyl, halogen, alkoxy of 1 to 8 carbon atoms, trifluoromethyl, trifluoromethoxy, lower alkylamino, nitro, cyano, SO.sub.n --alkyl of 1 to 4 carbon atoms, wherein n is 0, 1 or 2, a carbonamido moiety of the formula ##EQU6## and a sulphonamido moiety of the formula ##EQU7## wherein R.sub.3 and R.sub.4 are each hydrogen or alkyl of 1 to 4 carbon atoms; in combination with a pharmaceutically acceptable non-toxic inert diluent or carrier. Diuretic therapy, saluretic therapy and antihypertensive therapy is effected in humans and animals by administering an effective amount of the active ingredient as above defined.

  制备了药物组合物，其中包括一种利尿有效量、排盐有效量或抗高血压有效量的化合物，其化学结构如下：其中R是芳基，可以是未取代或由A取代的芳基，A是1、2或3个相同或不同的取代基，包括卤素、1至8个碳原子的烷基、1至8个碳原子的烷氧基、2至6个碳原子的烯氧基、5至7个碳原子的环烷基、三氟甲基、三氟甲氧基和苯基；B是1个或2个相同或不同的取代基，包括硝基、氰基、1至4个碳原子的较低烷基氨基、具有以下结构的羰基基团和具有以下结构的磺胺基团；C是来自以下群体的1个取代基，包括每个烷基基团中1至4个碳原子的二烷基氨基、硝基、氰基和1至4个碳原子的SO.sub.n-烷基，其中n为0、1或2；D是来自以下群体的1个取代基，包括具有以下结构的基团，其中R.sub.1和R.sub.2如上定义，硝基、氰基、具有以下结构的羰基基团，其中R.sub.1和R.sub.2如上定义，具有以下结构的磺胺基团，其中R.sub.1和R.sub.2如上定义，以及1至4个碳原子的SO.sub.n-烷基，其中n为0、1或2，以及来自以下群体的1个或2个取代基，包括1至8个碳原子的烷基、1至6个碳原子的烷氧基、卤素和三氟甲基；E是一个具有1个或多个氧和硫异原子的芳基取代或氯取代的芳基，其中芳基可以是环状分支或非分支、饱和或不饱和、5、6或7个成员的异环或杂环，F是--O--(CH.sub.2).sub.n' --N(烷基).sub.2，其中烷基基团总共含有2至4个碳原子，n'为2或3；或G是来自以下群体的两个不同的取代基，包括1至8个碳原子的烷基、苯基、卤素、1至8个碳原子的烷氧基、三氟甲基、三氟甲氧基、较低烷基氨基、硝基、氰基、1至4个碳原子的SO.sub.n-烷基，其中n为0、1或2，具有以下结构的羰基基团和具有以下结构的磺胺基团，其中R.sub.3和R.sub.4分别是氢或1至4个碳原子的烷基；与药学上可接受的无毒惰性稀释剂或载体结合。通常通过给人类和动物使用上述定义的活性成分的有效量来进行利尿疗法、排盐疗法和抗高血压疗法。
• Pharmaceutical composition derived from Tecoma plant and a method for treating cancer
  申请人：National Guard Health Affairs

  公开号：US11124499B2

  公开（公告）日：2021-09-21

  A pharmaceutical composition containing an anti-proliferative compound, named Tecomaphorbide, which is identified and isolated from Tecoma plants (e.g. Tecoma stans). The pharmaceutical composition may contain a derivative and/or a salt of Tecomaphorbide. A process of obtaining Tecomaphorbide from Tecoma plants is specified. A method of treating cancer (e.g. leukemia, lymphoma, breast, colon, and prostate cancer) with the pharmaceutical composition is also provided.

  一种药物组合物，含有一种名为 Tecomaphorbide 的抗增殖化合物，该化合物是从 Tecoma 植物（如 Tecoma stans）中鉴定和分离出来的。药物组合物可含有 Tecomaphorbide 的衍生物和/或盐。具体说明了一种从 Tecoma 植物中获得 Tecomaphorbide 的工艺。还提供了一种用药物组合物治疗癌症（如白血病、淋巴瘤、乳腺癌、结肠癌和前列腺癌）的方法。