2-(叔丁氧基羰基)六氢吡嗪-1-羧酸苄酯 | 154972-38-0

• 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: 2-(叔丁氧基羰基)六氢吡嗪-1-羧酸苄酯
• 英文名称: benzyl 2-(tert-butoxycarbonyl)hexahydropyridazine-1-carboxylate
• 英文别名: 1-benzyl-2-tert-butyl tetrahydropyridazine dicarboxylate；1-t-butoxycarbonyl-2-phenylmethoxycarbonylhexahydropyridazine；2-(tert-butoxycarbonyl)hexahydropyridazine-1-carboxylic acid benzyl ester；1-Boc-2-Cbz-hexahydropyridazine；1-Benzyl 2-(tert-butyl) tetrahydro-1,2-pyridazinedicarboxylate；1-O-benzyl 2-O-tert-butyl diazinane-1,2-dicarboxylate
• CAS: 154972-38-0
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: TUOLNRMGWOOMAY-UHFFFAOYSA-N

物化性质

• 沸点：
  406.9±38.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(叔丁氧基羰基)六氢吡嗪-1-羧酸苄酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 苯甲基四氢哒嗪-1(2H)-甲酸基酯
  参考文献：
  名称：

  Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects

  摘要：

  Nonimmunosuppressant ligands, exemplified by GPI 1046 (1), for the peptidyl-prolyl isomerase FKBP12 have been found to unexpectedly possess powerful neuroprotective and neuroregenerative effects in vitro and in vivo. We have extensively explored the therapeutic utility of FKBP12 ligands based on analogues of proline and pipecolic acid. As part of our ongoing program to explore novel structural classes of FKBP12 ligands, we herein wish to report a new class of FKBP12 ligands containing aza-proline and aza-pipecolic acid analogues. Details of the synthetic studies, together with biological activity will be presented. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00478-4
• 作为产物：
  描述：

  肼基甲酸苄酯 在 4-二甲氨基吡啶 、 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 2-(叔丁氧基羰基)六氢吡嗪-1-羧酸苄酯
  参考文献：
  名称：

  Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects

  摘要：

  Nonimmunosuppressant ligands, exemplified by GPI 1046 (1), for the peptidyl-prolyl isomerase FKBP12 have been found to unexpectedly possess powerful neuroprotective and neuroregenerative effects in vitro and in vivo. We have extensively explored the therapeutic utility of FKBP12 ligands based on analogues of proline and pipecolic acid. As part of our ongoing program to explore novel structural classes of FKBP12 ligands, we herein wish to report a new class of FKBP12 ligands containing aza-proline and aza-pipecolic acid analogues. Details of the synthetic studies, together with biological activity will be presented. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00478-4

文献信息

• PYRAZOLE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1762568A1

  公开（公告）日：2007-03-14

  A compound represented by formula (I): (wherein Ar1 represents a phenyl group which may have 1 to 3 substituents, or a non-substituted 5- or 6-membered aromatic heterocyclic group; Ar2 represents (i) a non-substituted phenyl group, (ii) a phenyl group which has been substituted by a lower alkyl group having 1 to 3 groups or atoms selected from among a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom, or (iii) a 5- or 6-membered nitrogen-containing aromatic heterocyclic group which has been substituted by 1 to 3 groups or atoms selected from among a lower alkyl group, a lower alkynyl group, a lower alkanoyl group, a carbamoyl group, a cyano group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom; and X represents a group represented by formula (II): (wherein the ring structure represents a 4- to 7-membered heterocyclic group which may have, in addition to the nitrogen atom shown in formula (II), one heteroatom selected from among nitrogen, oxygen, and sulfur, and which may be substituted by 1 to 4 groups or atoms selected from among a lower alkyl group, a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, an oxo group, a lower alkanoyl group, a lower alkylsulfonyl group, and a halogen atom)), a salt thereof, a solvate of the compound or the salt, and a drug.

  由式(I)表示的化合物： （其中Ar1代表可能具有1到3个取代基的苯基，或者是非取代的5-或6-成员芳香杂环基团；Ar2代表（i）非取代的苯基团，（ii）已被1到3个来自羰胺基、氨基、羟基、低烷氧基和卤原子的群或原子取代的较低烷基基团取代的苯基团，或者（iii）已被1到3个来自低烷基基团、低炔基基团、低烷酰基团、羰胺基、氰基、氨基、羟基、低烷氧基和卤原子的群或原子取代的5-或6-成员含氮芳香杂环基团；X代表由式(II)表示的基团： （其中环结构表示可能具有除了式(II)中显示的氮原子之外，从氮、氧和硫中选择的一个杂原子的4-到7-成员杂环基团，并且可能被1到4个来自低烷基基团、羰胺基、氨基、羟基、低烷氧基、氧基、低烷酰基团、低烷基磺酰基团和卤原子的群或原子取代）），其盐，该化合物或其盐的溶剂化合物，以及药物。
• Novel compounds and therapeutic uses thereof
  申请人：TORRENT PHARMACEUTICALS LTD.

  公开号：US20030225102A1

  公开（公告）日：2003-12-04

  The invention discloses a novel series of compound represented by general formula (I), 1 its derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, pharmaceutically acceptable salts, solvates wherein X, n, k, z, R1, R2, R3, R4, R5 and R6 are as defined in the specification that are useful in (i) normalizing elevated blood glucose levels in diabetes, (ii) treating disorders related to glucose intolerance and (iii) for scavenging free radicals of mammals. The invention also discloses pharmaceutically acceptable composition comprising these compounds, method for preparation of the compounds as defined above and method of treating mammals including human beings by administering an effective amount of said compounds to a subject in need thereof. The invention further discloses use of these compounds in the manufacture of a medicament useful for treatment of different disease conditions as stated above.

  该发明揭示了一种新型系列化合物，由通式（I）表示，其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、溶剂化合物。其中X、n、k、z、R1、R2、R3、R4、R5和R6如规范中定义的那样，在(i)规范化糖尿病患者的高血糖水平、(ii)治疗与葡萄糖不耐受相关的疾病和(iii)清除哺乳动物自由基方面是有用的。该发明还揭示了包括这些化合物的药学上可接受的组合物，所述化合物的制备方法如上所定义，以及通过向需要的受试者投予有效量的这些化合物来治疗哺乳动物，包括人类的方法。该发明进一步揭示了这些化合物在制造用于治疗上述不同疾病症状的药物中的用途。
• Azapeptide acids as cell adhesion inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06069163A1

  公开（公告）日：2000-05-30

  Azapeptide acids of Formula I are antagonists of VLA-4 and/or .alpha..sub.4 .beta..sub.7, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of asthma, allergies, inflammation, multiple sclerosis, and other inflammatory and autoimmune disorders.

  公式I的Azapeptide酸是VLA-4和/或α.sub.4 .β.sub.7的拮抗剂，因此在抑制或预防细胞黏附和细胞黏附介导的病理过程中是有用的。这些化合物可以制成药物组合物，适用于治疗哮喘、过敏、炎症、多发性硬化症以及其他炎症和自身免疫性疾病。
• Cyclic Dibenzoylhydrazines Reproducing the Conformation of Ecdysone Agonists, RH-5849
  作者：Tetsuya Toya、Kentaro Yamaguchi、Yasuyuki Endo

  DOI：10.1016/s0968-0896(01)00353-4

  日期：2002.4

  non-steroidal ecdysone agonist, 1-tert-butyl-1,2-dibenzoylhydrazine (RH-5849) by means of design, synthesis and conformational analysis of cyclic derivatives of RH-5849. Among the synthesized compounds, a 6-membered cyclic hydrazine bearing two benzoyl groups (5) exists in three conformational states in solution, and the major unsymmetrical conformer of 5 is similar to that of RH-5849 on the basis of 1H NMR and

  我们已经通过设计，合成和构象分析了RH-5849的环状衍生物，研究了非甾体蜕皮激素激动剂1-叔丁基-1，2-二苯甲酰肼（RH-5849）的生物活性构象。在合成的化合物中，带有两个苯甲酰基（5）的6元环状肼在溶液中以三个构象态存在，基于1H NMR和X-，5的主要不对称构象与RH-5849相似。射线分析。5（10）的3,3-二甲基衍生物以单个不对称构象体存在。尽管环状衍生物与RH-5849具有构象相似性，但这些化合物未显示任何激素或杀虫活性。
• Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons
  申请人：——

  公开号：US20040266871A1

  公开（公告）日：2004-12-30

  Disclosed are methods for treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of compounds of of compounds of formula (I) wherein R 1 , R 2 , R 3 . and N, are defined herein. 1

  本发明涉及一种治疗阿尔茨海默病和其他疾病，或通过使用式(I)中定义的化合物来抑制β-分泌酶酶、抑制β-分泌酶酶和/或抑制哺乳动物中Aβ肽沉积的方法，其中R1、R2、R3和N在此处有定义。