(E)-2-<(3,4,5-trimethoxyphenyl)methylene>hydrazinecarboximidamide | 146903-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (E)-2-<(3,4,5-trimethoxyphenyl)methylene>hydrazinecarboximidamide
• 英文别名: N-[(E)-[(3,4,5-Trimethoxyphenyl)methylidene]amino]guanidine；2-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]guanidine
• CAS: 146903-56-2
• 化学式: C₁₁H₁₆N₄O₃
• 分子量: 252.273
• InChiKey: LDLMSHUTQZWFDD-MKMNVTDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-2-<(3,4,5-trimethoxyphenyl)methylene>hydrazinecarboximidamide 在 potassium hydrogencarbonate 、 4-吡咯烷基吡啶 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 (E)-2,2-dimethyl-N-[4-phenyl-1-[[(3,4,5-trimethoxyphenyl)methylene]amino]-1H-imidazol-2-yl]propanamide
  参考文献：
  名称：

  2-氨基-4-芳基-1-芳基亚氨基咪唑和酰化产物：多核（ 1 H， 13 C， 15 N）NMR研究

  摘要：

  通过NMR光谱法（1 H，13 C，15 N）研究了 DMSO -d 6溶液中的2-氨基-4-芳基-1-芳基亚氨基氨基咪唑的结构 。根据这些数据，在环外C = N键处的（ E ）-构型以及对带有咪唑H-5和N = CH质子在空间上接近（s- trans 关于N–N键）可以得出结论。标题化合物与乙酸酐的反应导致2-氨基上的单酰基和二酰基化，而新戊酸酐处理仅得到相应的单酰基产物。单酰化和二酰化产物表现出与母体化合物相似的构型和构象性质。

  DOI：

  10.1007/s00706-003-0104-3

文献信息

• [EN] GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE<br/>[FR] DERIVES DE GUANIDINE ET LEUR UTILISATION DANS LA PRODUCTION D'UN MEDICAMENT DESTINE A BLOQUER LES XANTHINE OXYDASES/DESHYDROGENASES
  申请人：MELACURE THERAPEUTICS AB

  公开号：WO2001025192A1

  公开（公告）日：2001-04-12

  The present invention relates to guanidine derivatives and pharmaceutically acceptable acid salts thereof. The invention further relates to pharmaceutical preparations containing said compounds, and the use of said compounds for treatment of any type of condition where the expression of xanthine oxidase/xanthine dehydrogenase enzymes is involved. The invention particularly relates to the use of these compounds in the preparation of a medicament for enhancing the survical of a transplanted cell, organ or tissue, or cell, organ or tissue to be transplanted.

  本发明涉及胍衍生物及其药用酸盐。本发明还涉及含有该化合物的制药制剂，以及使用该化合物治疗涉及黄嘌呤氧化酶/黄嘌呤脱氢酶酶表达的任何类型疾病的用途。本发明特别涉及使用这些化合物制备增强移植细胞、器官或组织的存活或待移植的细胞、器官或组织的药物。
• 1,4-Diacyl-3-acylamino-5-aryl-4,5-dihydro-1H-1,2,4-triazoles: Ring closure products of aromatic carbaldehyde (diaminomethylene) hydrazones with acylating agents
  作者：Z. Gy�rgyde�k、W. Holzer、R. W. Kunz、A. Linden

  DOI：10.1007/bf00807164

  日期：——

  Treatment of aromatic carbaldehyde (diaminomethylene)hydrazones 1 with hot acetic anhydride or benzoyl chloride affords 1,4-diacyl-3-acylamino-5-aryl-4,5-dihydro-1H-1,2,4-triazoles 2. In contrast, a new type of O,N-acetal with an 1,2,4-triazole substructure (3) is obtained from 4-pyridine-carbaldehyde (diaminomethylene)hydrazone (1i) by using a similar reaction procedure. The structures of all novel compounds were confirmed by spectroscopic data (H-1 and C-13 NMR, MS, IR); some representative compounds were also studied by X-ray analysis.
• COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS
  申请人：Chow Suk Hen

  公开号：US20150246140A1

  公开（公告）日：2015-09-03

  In some aspects, the invention relates to methods of treating conditions associated with sleep disorders, comprising administering an agent that modulates the activity of a neuropeptide receptor or a neuropeptide receptor ligand. In some aspects, the invention relates to methods of screening agents that modulate the activity of a neuropeptide receptor in an organism, optionally using cells or organisms comprising a genetic modification that affects a neuropeptide signaling pathway. In some aspects, the invention relates to methods of characterizing a condition associated with a sleep disorder comprising sequencing a nucleic acid encoding either a neuropeptide receptor or a neuropeptide receptor ligand and comparing the sequence with a reference sequence.
• SELF-ASSEMBLED ACTIVE AGENTS
  申请人：The United States of America, as represented by the Secretary of Agriculture

  公开号：US20220015367A1

  公开（公告）日：2022-01-20

  A self-assembled active agent may be formed by a process including covalently bonding at least a first component molecule and a second component molecule, the two component molecules displaying synergy such that the effective amount of the self-assembled active agent is lower than the sum of the effective amounts of the first component molecule and the second component molecule. The component molecules may be chosen such that the covalent bonding is reversible, for example through a hydrazone bond between an amine and an aldehyde. The active agent may thus have controllable activity such as an antimicrobial agent, a biocide, an antiviral agent, a preservative, an antifouling agent, a disinfectant, or a sensor agent, such as for a particular molecule or for pH.
• [EN] COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS<br/>[FR] COMPOSITIONS ET PROCÉDÉS DESTINÉS À MODULER LE SOMMEIL ET L'ÉTAT DE VEILLE
  申请人：CALIFORNIA INST OF TECHN

  公开号：WO2015120446A1

  公开（公告）日：2015-08-13

  In some aspects, the invention relates to methods of treating conditions associated with sleep disorders, comprising administering an agent that modulates the activity of a neuropeptide receptor or a neuropeptide receptor ligand. In some aspects, the invention relates to methods of screening agents that modulate the activity of a neuropeptide receptor in an organism, optionally using ceils or organisms comprising a genetic modification that affects a neuropeptide signaling pathway. In some aspects, the invention relates to methods of characterizing a condition associated with a sleep disorder comprising sequencing a nucleic acid encoding either a neuropeptide receptor or a neuropeptide receptor ligand and comparing the sequence with a reference sequence.