N-(4-氯苄基)-1,3-丙二胺 | 61798-10-5

• 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: N-(4-氯苄基)-1,3-丙二胺
• 英文名称: N-(4-chlorobenzyl)propane-1,3-diamine
• 英文别名: N-(4-chlorobenzyl)trimethylenediamine；N'-[(4-chlorophenyl)methyl]propane-1,3-diamine
• CAS: 61798-10-5
• 化学式: C₁₀H₁₅ClN₂
• mdl: MFCD06661415
• 分子量: 198.695
• InChiKey: RMASORJTUXYTIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2921590090

反应信息

• 作为反应物：
  描述：

  methyl [4-(chloroacetyl)-1-(2-chlorophenyl)-5-hydroxy-1H-pyrazol-3-yl]acetate 、 N-(4-氯苄基)-1,3-丙二胺 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Design, synthesis and biological activity of original pyrazolo-pyrido-diazepine, -pyrazine and -oxazine dione derivatives as novel dual Nox4/Nox1 inhibitors

  摘要：

  Pyrazolo-pyrido-diazepine, -pyrazine and -oxazine dione derivatives are new chemical entities with good and attractive druglikeness properties. A series of pyrazolo-pyrido-diazepine dione analogs demonstrated to be particularly amenable to lead optimization through a couple of cycles in order to improve specificity for isoforms Nox4 and Nox1 and had excellent pharmacokinetic parameters by oral route. Several molecules such as compound 7c proved to be highly potent in in vitro assays on human lung fibroblasts differentiation as well as in curative murine models of bleomycin-induced pulmonary fibrosis with superior efficiency over Pirfenidone. Pyrazolo-pyrido-diazepine dione derivatives targeting Nox4 and Nox1 isoforms appear highly promising therapeutics for the treatment of idiopathic pulmonary fibrosis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.016
• 作为产物：
  描述：

  4-氯氯苄 、 1,3-丙二胺 以 乙醇 为溶剂， 反应 56.0h， 以71%的产率得到N-(4-氯苄基)-1,3-丙二胺
  参考文献：
  名称：

  从 N-Benzyl-1,3-丙二胺衍生物合成铂配合物，潜在的抗肿瘤剂

  摘要：

  这项工作描述了以 N-苄基 1,3-丙二胺衍生物作为配体的七种新铂配合物的合成。它们是通过 K2[PtCl4] 与适当的配体在水中反应制备的。这些复合物是顺铂的类似物，是潜在的抗肿瘤剂。

  DOI：

  10.3390/70400405

文献信息

• [EN] AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES<br/>[FR] DÉRIVÉS D'AZÉTIDINE UTILES POUR LE TRAITEMENT DE MALADIES MÉTABOLIQUES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2012098033A1

  公开（公告）日：2012-07-26

  Compounds are disclosed that have a formula represented by the following: These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example inflammatory conditions, infectious diseases, autoimmune diseases, diseases involving impairment of immune cell functions, cardiometabolic diseases, and/or proliferative diseases.

  披露了具有以下表示的公式的化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如炎症性疾病、传染病、自身免疫疾病、涉及免疫细胞功能受损的疾病、心脏代谢疾病和/或增殖性疾病，举例不限。
• Pesticidal 1-(substituted benzyl)-2-nitromethylene-tetrahydropyrimidines
  申请人：Nihon Tokushu Noyaku Seizo K.K.

  公开号：US04590272A1

  公开（公告）日：1986-05-20

  Pesticidally active novel nitromethylene-tetrahydropyrimidines of the formula ##STR1## wherein X represents a halogen atom.

  具有杀虫活性的新型硝基亚甲基四氢嘧啶化合物的化学式如下：##STR1## 其中X代表卤素原子。
• NITROMETHYLENE DERIVATIVES AND THEIR USE
  申请人：Qian Xuhong

  公开号：US20070281950A1

  公开（公告）日：2007-12-06

  The present invention discloses nitromethylene derivatives and the uses thereof. These derivatives are obtained by adding ring structure onto the known nitromethylene compounds, by which both their stability for light and their liposolubility are increased. Furthermore, by using the substituents linked to ether bond, the steric orientation of the nitro group and the liposolubility of the compounds are controlled. The insecticidal activity tests show that the compounds and their derivatives of the invention display high efficiency on killing various destructive insects with piercing-sucking type or scratching type mouthparts, such as aphid, leafhopper, plant hpooer, thrips and white fly.

  本发明揭示了硝基甲烯衍生物及其用途。这些衍生物是通过向已知的硝基甲烯化合物添加环结构获得的，从而增加了它们对光的稳定性和脂溶性。此外，通过使用与醚键相连的取代基，可以控制硝基团的立体定向和化合物的脂溶性。杀虫活性测试表明，本发明的化合物及其衍生物对吸食或刮擦式口器的各种破坏性昆虫（如蚜虫、叶蝉、植物蚜虫、蓟马和白蝇）具有高效杀灭作用。
• AMINOALCOHOL LIPIDOIDS AND USES THEREOF
  申请人：Mahon Kerry Peter

  公开号：US20110293703A1

  公开（公告）日：2011-12-01

  Aminoalcohol lipidoids are prepared by reacting an amine with an epoxide-terminated compound are described. Methods of preparing aminoalcohol lipidoids from commercially available starting materials are also provided. Aminoalcohol lipidoids may be prepared from racemic or stereochemically pure epoxides. Aminoalcohol lipidoids or salts forms thereof are preferably biodegradable and biocompatible and may be used in a variety of drug delivery systems. Given the amino moiety of these aminoalcohol lipidoid compounds, they are particularly suited for the delivery of polynucleotides. Complexes, micelles, liposomes or particles containing the inventive lipidoids and polynucleotide have been prepared. The inventive lipidoids may also be used in preparing microparticles for drug delivery. They are particularly useful in delivering labile agents given their ability to buffer the pH of their surroundings.

  本文描述了通过将胺与环氧末端化合物反应制备氨基醇脂质体的方法。还提供了从商业起始材料制备氨基醇脂质体的方法。氨基醇脂质体可以从外消旋或立体化学纯的环氧化合物制备。氨基醇脂质体或其盐形式最好是可生物降解和生物相容的，并可用于各种药物输送系统。鉴于这些氨基醇脂质体化合物的氨基基团，它们特别适用于多核苷酸的输送。已经制备了包含创新脂质体和多核苷酸的复合物、胶束、脂质体或粒子。创新脂质体也可以用于制备药物输送的微粒。鉴于它们能够缓冲其周围环境的pH值，它们在输送不稳定剂方面特别有用。
• Nitromethylen-tetrahydropyrimidin-Derivate, Verfahren zu ihrer Herstellung sowie insektizide, mitizide, tickizide und nematizide Mittel
  申请人：NIHON TOKUSHU NOYAKU SEIZO K.K.

  公开号：EP0136636A2

  公开（公告）日：1985-04-10

  Die vorliegende Erfindung beschreibt (1) ein Nitromethylen-tetrahydropyrimidin-Derivat der allgemeinen Formel (I) in der X für Halogen steht, (2) Verfahren zur Herstellung des Nitromethylen-tetrahydropyrimidin-Derivats der allgemeinen Formel (I), (3) insektizide, mitizide und nematizide Mittel, die als Wirkstoff das Nitromethylen-tetrahydropyrimidin-Derivat der allgemeinen Formel (I) enthalten, und (4) ein Verfahren zur Bekämpfung schädlicher Insekten, Milben oder Zecken und Nematoden, bei dem das Nitromethylen-tetrahydropyrimidin-Derivat der allgemeinen Formel (I) entweder allein oder in Kombination mit Verdünnungsmittel (einem Lösungsmittel und/oder einem Streckmittel und/oder einem Träger) und/oder einem oberflächenaktiven Mittel und, falls weiterhin erforderlich, einem Stabilisator, einem Haftmittel und einem synergistischen Mittel zur Einwirkung gebracht wird.

  本发明描述了 (1) 通式(I)的硝基亚甲基四氢嘧啶衍生物 其中 X 代表卤素、 (2) 通式(I)的硝基亚甲基四氢嘧啶衍生物的制备工艺、 (3) 含有通式（I）的硝基亚甲基四氢嘧啶衍生物作为活性成分的杀虫、杀螨剂和杀线虫剂，以及 (4) 一种控制有害昆虫、螨虫或蜱虫和线虫的方法，其中通式(I)的硝基亚甲基四氢嘧啶衍生物可单独或与稀释剂（溶剂和/或扩展剂和/或载体）和/或表面活性剂以及（如有进一步需要）稳定剂、粘合剂和增效剂一起发挥作用。