1,1-dibenzyl-3-(diaminomethylene)guanidine | 61057-73-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-dibenzyl-3-(diaminomethylene)guanidine
• 英文别名: N¹,N¹-Dibenzyl-biguanid；N,N-dibenzylbiguanide；1,1-dibenzyl-3-(diaminomethylidene)guanidine
• CAS: 61057-73-6
• 化学式: C₁₆H₁₉N₅
• 分子量: 281.36
• InChiKey: NRQYHXIIEVPJHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  91.5
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  邻苯二甲酸二丁酯 、 1,1-dibenzyl-3-(diaminomethylene)guanidine 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 以29%的产率得到1,1-dibenzyl-2-(1,5-dioxo-2,5-dihydro-1H-benzo[e][1,3]diazepin-3-yl)guanidine
  参考文献：
  名称：

  与芳基[e] [1,3]二氮杂二酮有关的新杂环的合成与表征。重排为2,4-二氨基-1,3,5-三嗪衍生物

  摘要：

  新型非平面杂环为药物设计和药物化学做出了巨大贡献。熔融的芳基[ e ] [1,3]二氮杂二酮是研究较少且吸引人的化合物。在这里，我们设计了5种基于3-氨基苯并[ e ] [1,3]二氮杂-1,5-二酮和未描述的3-氨基吡啶[3,4- e ] [1,3]二氮杂-1的含多氮化合物，5-二酮，7-氨基吡啶并[2,3- e ] [1,3]二氮杂5,9-二酮和7-氨基吡嗪并[2,3- e ] [1,3]二氮杂-5,9-二酮。介绍了合成，表征，化学性质和X射线结构。稳定性研究导致鉴定了2-胍基-苯并[ e]的新型重排通过水解开环然后环缩合将] [1,3]二氮杂-4,7-二酮转化为2,4-二氨基-6-苯基-1,3,5-三嗪。该反应性已被用于在优化后有效地获得“活化的” 2,2,2-三氟酯，该“活化的” 2,2,2-三氟酯通过水解，酯交换作用或酰胺的形成相继转化为各种官能化的衍生物。这些后面的结构作为药物样分子的前体具有很高的潜力。

  DOI：

  10.1039/d0nj01229g

文献信息

• Cleaning formulation for removing residues on surfaces
  申请人：Fujifilm Electronic Materials U.S.A., Inc.

  公开号：US10253282B2

  公开（公告）日：2019-04-09

  This disclosure relates to a cleaning composition that contains 1) at least one redox agent; 2) at least one first chelating agent, the first chelating agent being a polyaminopolycarboxylic acid; 3) at least one second chelating agent different from the first chelating agent, the second chelating agent containing at least two nitrogen-containing groups; 4) at least one metal corrosion inhibitor, the metal corrosion inhibitor being a substituted or unsubstituted benzotriazole; 5) at least one organic solvent selected from the group consisting of water soluble alcohols, water soluble ketones, water soluble esters, and water soluble ethers; 6) water; and 7) optionally, at least one pH adjusting agent, the pH adjusting agent being a base free of a metal ion. This disclosure also relates to a method of using the above composition for cleaning a semiconductor substrate.

  本公开涉及一种清洁组合物，其中包含：1）至少一种氧化还原剂；2）至少一种第一螯合剂，第一螯合剂为聚氨基多羧酸；3）至少一种不同于第一螯合剂的第二螯合剂，第二螯合剂含有至少两个含氮基团；4) 至少一种金属缓蚀剂，该金属缓蚀剂为取代或未取代的苯并三唑； 5) 至少一种有机溶剂，该有机溶剂选自由水溶性醇、水溶性酮、水溶性酯和水溶性醚组成的组； 6) 水；以及 7) 可选地，至少一种 pH 值调节剂，该 pH 值调节剂为不含金属离子的碱。本公开还涉及一种使用上述组合物清洗半导体基底的方法。
• Biguanide compound and use thereof
  申请人：ImmunoMet Therapeutics Inc.

  公开号：US10626085B2

  公开（公告）日：2020-04-21

  The present invention relates to a guanidine compound and a use thereof, and more specifically, to a guanidine derivative showing excellent effects of inhibiting cancer cell proliferation, cancer metastasis, and cancer recurrence; a preparation method thereof; and a pharmaceutical composition containing the same as an active ingredient. Compared to existing drugs, the guanidine derivative according to the present invention shows excellent effects of inhibiting cancer cell proliferation, cancer metastasis, and cancer recurrence even with small doses, and may thus be effectively used in preventing or treating various cancers such as uterine cancer, breast cancer, stomach cancer, brain cancer, rectal cancer, colorectal cancer, lung cancer, skin cancer, blood cancer, liver cancer, etc., inhibiting cancer cell proliferation and cancer metastasis.

  本发明涉及一种胍类化合物及其用途，更具体地说，涉及一种在抑制癌细胞增殖、癌症转移和癌症复发方面具有卓越效果的胍类衍生物；其制备方法；以及一种以其为有效成分的药物组合物。与现有药物相比，根据本发明的胍类衍生物即使剂量很小，也能显示出极佳的抑制癌细胞增殖、癌转移和癌症复发的效果，因此可有效用于预防或治疗各种癌症，如子宫癌、乳腺癌、胃癌、脑癌、直肠癌、大肠癌、肺癌、皮肤癌、血癌、肝癌等，抑制癌细胞增殖和癌转移。
• Non-toxic corrosion-protection pigments based on manganese
  申请人：——

  公开号：US20040011252A1

  公开（公告）日：2004-01-22

  Corrosion-inhibiting pigments based on manganese are described that contain a trivalent or tetravalent manganese/valence stabilizer complex. An inorganic or organic material is used to stabilize the trivalent or tetravalent manganese ion to form a compound that is sparingly soluble, exhibits low solubility, or is insoluble in water, depending upon the intended usage. Specific stabilizers are chosen to control the release rate of trivalent or tetravalent manganese during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Manganese/valence stabilizer combinations are chosen based on the well-founded principles of manganese coordination chemistry. Many manganese-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium or tetravalent lead systems. It is emphasized that this abstract is provided to comply with the rules requiring an abstract which will allow a searcher or other reader to quickly ascertain the subject matter of the technical disclosure. It is submitted with the understanding that it will not be used to interpret or limit the scope or meaning of the claims.

  以锰为基础的缓蚀颜料含有三价或四价锰/价稳定剂复合物。一种无机或有机材料可用于稳定三价或四价锰离子，从而形成一种可少量溶解、溶解度低或不溶于水的化合物，具体取决于预期用途。选择特定的稳定剂是为了控制三价锰或四价锰在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。锰/价稳定剂组合的选择是基于锰配位化学的基本原理。文中介绍了许多锰价稳定剂组合，其性能与传统的六价铬或四价铅体系相当。需要强调的是，提供本摘要是为了符合要求提供摘要的规则，以便检索者或其他读者快速确定技术公开的主题。提交本摘要的前提是，本摘要不用于解释或限制权利要求的范围或含义。
• Non-toxic corrosion-protection pigments based on rare earth elements
  申请人：——

  公开号：US20040104377A1

  公开（公告）日：2004-06-03

  A corrosion-inhibiting pigment comprising a rare earth element and a valence stabilizer combinded to form a rare earth/valence stabilizer complex. The rare earth element is selected from cerium, terbium, praseodymium, or a combination thereof, and at least one rare earth element is in the tetravalent oxidation state. An inorganic or organic material is used to stabilize the tetravalent rare earth ion to form a compound that is sparingly soluble in water. Specific stabilizers are chosen to control the release rate of tetravalent cerium, terbium, or praseodymium during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Many rare earth-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium systems.

  一种缓蚀颜料，由稀土元素和价态稳定剂结合形成稀土/价态稳定剂复合物。稀土元素选自铈、铽、镨或它们的组合，至少有一种稀土元素处于四价氧化态。使用无机或有机材料来稳定四价稀土离子，以形成稀溶于水的化合物。选择特定的稳定剂是为了控制四价铈、铽或镨在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。本文介绍了许多稀土-价稳定剂组合，其性能可与传统的六价铬体系媲美。
• BIGUANIDE COMPOUND AND USE THEREOF
  申请人：Immunomet Therapeutics Inc.

  公开号：EP3222614B1

  公开（公告）日：2020-07-29