(3,4-二氯苄基)丙胺 | 90390-20-8

• 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: (3,4-二氯苄基)丙胺
• 中文别名: (3,4-二氯苯基)甲基](丙基)胺
• 英文名称: N-(3,4-dichlorobenzyl)propan-1-amine
• 英文别名: (3,4-dichlorobenzyl)(propyl)amine；(3,4-dichlorobenzyl)propylamine；(3,4-dichloro-benzyl)-propyl-amine；(3,4-Dichlor-benzyl)-propyl-amin；Propyl-<3,4-dichlor-benzyl>-amin；Benzenemethanamine, 3,4-dichloro-N-propyl-；N-[(3,4-dichlorophenyl)methyl]propan-1-amine
• CAS: 90390-20-8
• 化学式: C₁₀H₁₃Cl₂N
• mdl: MFCD07407646
• 分子量: 218.126
• InChiKey: HFUMKYDRGJLTFH-UHFFFAOYSA-N

物化性质

• 沸点：
  278.3±25.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  光气 、 (3,4-二氯苄基)丙胺 生成 (3,4-dichlorobenzyl)(propyl)carbamic chloride
  参考文献：
  名称：

  FR2234293

  摘要：

  公开号：
• 作为产物：
  描述：

  3,4-二氯苯甲醛 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 (3,4-二氯苄基)丙胺
  参考文献：
  名称：

  Benzylamines: synthesis and evaluation of antimycobacterial properties

  摘要：

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.

  DOI：

  10.1021/jm00375a005

文献信息

• Synthesis and algicidal activity of new dichlorobenzylamine derivatives against harmful red tides
  作者：Dubok Choi、Sunjong Yu、Seung Ho Baek、Yoon-Ho Kang、Young-Cheol Chang、Hoon Cho

  DOI：10.1007/s12257-016-0175-8

  日期：2016.6

  In the present study, we synthesized 65 dichlorobenzylamine derivatives and investigated their algicidal activity against harmful red tides. The 3,4-dichlorobenzylamine derivatives showed relatively high activity against Cochlodinium polykrikoides, Heterosigma akashiwo, Chattonella marina, and Heterocapsa circularisquama, and the synthesized compounds 27, 28, 33, 34, 35, and 36 showed the highest algicidal activity after 24 h at 0.1 ~ 1.0 μM LC50 against the four harmful algae species. To verify the safety of the compounds, acute ecotoxicology tests using the water flea (Daphnia magna) and zebrafish (Danio rerio) were conducted, and the tests confirmed that compounds 33 and 34 were not harmful because the target organisms showed high survival rates at 15 μM. The results indicate that compounds 33 and 34 are suitable substances for use in controlling harmful algae species.

  在本研究中，我们合成了65种二氯苄胺衍生物，并研究了它们对有害赤潮的藻类灭杀活性。3,4-二氯苄胺衍生物对多刺菱形藻、赤潮藻、海洋Chattonella以及圆形裙藻显示出较高的活性，而合成的化合物27、28、33、34、35和36在0.1 ~ 1.0 μM LC50条件下，在24小时后对这四种有害藻类展现出最高的藻类灭杀活性。为了验证这些化合物的安全性，我们进行了使用水蚤（Daphnia magna）和斑马鱼（Danio rerio）的急性生态毒理学测试，结果表明化合物33和34并不有害，因为目标生物在15 μM浓度下显示出较高的生存率。这些结果表明化合物33和34适合作为控制有害藻类的物质。
• COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS
  申请人：CUREARTH, INC.

  公开号：US20180271091A1

  公开（公告）日：2018-09-27

  The present disclosure relates to a composition for the destruction of microalgae or mosses. The composition for the destruction of microalgae or mosses may suppress the growth and proliferation of microalgae when treated in moss cultivation facilities, marine microalgae cultivation facilities, areas in which green or red tide is occurring, or areas in which green or red tide is expected to occur, thereby preventing damage caused by the green or red tide.

  本公开涉及一种用于消灭微藻或苔藓的组合物。该用于消灭微藻或苔藓的组合物在苔藓培育设施、海洋微藻培育设施、发生绿潮或红潮的区域，或者预计会发生绿潮或红潮的区域中处理时，可以抑制微藻的生长和繁殖，从而预防绿潮或红潮造成的损害。
• Composition for destruction of microalgae or sphaerocarpus
  申请人：CUREARTH, INC.

  公开号：US11044909B2

  公开（公告）日：2021-06-29

  The present disclosure relates to a composition for the destruction of microalgae or mosses. The composition for the destruction of microalgae or mosses may suppress the growth and proliferation of microalgae when treated in moss cultivation facilities, marine microalgae cultivation facilities, areas in which green or red tide is occurring, or areas in which green or red tide is expected to occur, thereby preventing damage caused by the green or red tide.

  本公开涉及一种用于消灭微藻或苔藓的组合物。在苔藓栽培设施、海洋微藻栽培设施、正在发生绿潮或赤潮的地区或预计会发生绿潮或赤潮的地区处理这种用于消灭微藻或苔藓的组合物时，可抑制微藻的生长和增殖，从而防止绿潮或赤潮造成的损害。
• Hypoglycemic Agents. II.^1—3 Arylbiguanides
  作者：Seymour L. Shapiro、Vincent A. Parrino、Elaine Rogow、Louis Freedman

  DOI：10.1021/ja01523a059

  日期：1959.7
• Novel non-ATP competitive small molecules targeting the CK2 α/β interface
  作者：Paul Brear、Andrew North、Jessica Iegre、Kathy Hadje Georgiou、Alexandra Lubin、Laura Carro、William Green、Hannah F. Sore、Marko Hyvönen、David R. Spring

  DOI：10.1016/j.bmc.2018.05.011

  日期：2018.7

  Increased CK2 levels are prevalent in many cancers. Combined with the critical role CK2 plays in many cell-signaling pathways, this makes it a prime target for down regulation to fight tumour growth. Herein, we report a fragment-based approach to inhibiting the interaction between CK2 alpha and CK2 beta at the alpha-beta interface of the holoenzyme. A fragment, CAM187, with an IC50 of 44 mu M and a molecular weight of only 257 gmol(-1) has been identified as the most promising compound. Importantly, the lead fragment only bound at the interface and was not observed in the ATP binding site of the protein when co-crystallised with CK2 alpha. The fragment-like molecules discovered in this study represent unique scaffolds to CK2 inhibition and leave room for further optimisation.