1,5-dimethyl-1H-pyrazole-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,5-dimethyl-1H-pyrazole-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide
• 英文别名: 1,5-dimethyl-1H-pyrazole-3-carboxylic acid[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxybiphenyl-3-ylmethyl]-amide；N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide
• 化学式: C₃₁H₄₀N₄O₄
• 分子量: 532.683
• InChiKey: GSPCESHXPHPOSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  96.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-糠酸 、 烟酸 、 2-四氢呋喃甲酸 、 糠酸（呋喃甲酸） 、 2-甲酸吡嗪 、 异唑-5-羧酸 、 1,2,3-噻重氮-4-羧酸 、 5-甲基异恶唑-3-甲酸 、 N-甲基-2-吡咯羧酸 、 1,5-二甲基-1H-吡唑-3-羧酸 、 5-甲基吡嗪-2-羧酸 、 2,5-二甲基-3-呋喃酸 、 异烟酸-N-氧化物 、 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine hydrochloride 、 、 3-噻吩甲酸 、 DL-焦谷氨酸 在 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 furan-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-yl-methyl]-amide 、 furan-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 furan-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 furan-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 N-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-nicotin amide 、 pyrazine-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 isoxazole-5-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 1-methyl-1H-pyrrole-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 isoxazole-5-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 thiophene-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 N-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-nicotinamide 、 pyrazine-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 thiophene-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 1-methyl-1H-pyrrole-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 5-methyl-isoxazole-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 5-methyl-isoxazole-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 1,5-dimethyl-1H-pyrazole-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 5-oxo-pyrrolidine-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 [1,2,3]-thiadazole-4-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 N-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-1-hydroxyisonicotin amide N-oxide 、 tetrahydro-furan-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 tetrahydro-furan-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide 、 5-methyl-pyrazine-2-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 2,5-dimethyl-furan-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-amide 、 2,5-dimethyl-furan-3-carboxylic acid [4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-ylmethyl]-amide
  参考文献：
  名称：

  Phenyl derivatives and methods of use

  摘要：

  披露了新的苯基化合物、含有这些化合物的药物组合物以及它们的药用方法。在某些实施例中，这些化合物是 cannabinoid 受体的激动剂和/或配体，可能用于治疗和/或预防疼痛、胃肠疾病、泌尿生殖系统疾病、炎症、青光眼、自身免疫疾病、缺血性疾病、免疫相关疾病和神经退行性疾病，用于提供对缺血和再灌注效应的心脏保护，用于诱导恶性细胞的凋亡，以及作为食欲刺激剂。

  公开号：

  US20060074086A1

文献信息

• PHENYL DERIVATIVES AND METHODS OF USE
  申请人：Dolle Roland E.

  公开号：US20100168108A1

  公开（公告）日：2010-07-01

  Novel phenyl compounds, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the compounds are agonists and/or ligands of cannabinoid receptors and may be useful, inter alia, for treating and/or preventing pain, gastrointestinal disorders, genitourinary disorders, inflammation, glaucoma, auto-immune diseases, ischemic conditions, immune-related disorders, and neurodegenerative diseases, for providing cardioprotection against ischemic and reperfusion effects, for inducing apoptosis in malignant cells, and as an appetite stimulant.

  本发明涉及新型苯基化合物、含有这些化合物的制药组合物以及它们的制药用途方法。在某些实施例中，这些化合物是大麻素受体的激动剂和/或配体，可以用于治疗和/或预防疼痛、胃肠道疾病、泌尿生殖系统疾病、炎症、青光眼、自身免疫疾病、缺血性疾病、免疫相关疾病和神经退行性疾病，提供心脏对缺血和再灌注效应的保护作用，诱导恶性细胞凋亡，并作为食欲刺激剂。
• 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。
• NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT
  申请人：UNIVERSITY OF DAYTON

  公开号：EP1472319A1

  公开（公告）日：2004-11-03
• Non-toxic corrosion-protection rinses and seals based on rare earth elements
  申请人：——

  公开号：US20040016910A1

  公开（公告）日：2004-01-29

  Rinsing or sealing solutions comprising a rare earth element and a valence stabilizer for barrier films. The treated films contain a rare earth/valence stabilizer complex. The rare earth element is selected from cerium, praseodymium, terbium, or combinations thereof, and at least one rare earth element is in the tetravalent oxidation state. The rinsing or sealing solution may also contain an optional preparative or solubility control agent. The oxidized rare earth element is present in the coating in a “sparingly soluble” form. The valence stabilizers can be either inorganic or organic in nature. A number of rare earth/valence stabilizer combinations that match the performance of conventional hexavalent chromium systems are presented.