tert-butyl-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate | 187397-07-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: tert-butyl-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
• 英文别名: 3-methyl-8-tert-butoxycarbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione；tert-butyl 2,4-dioxo-3-methyl-1,3,8-triaza-8-spiro[4.5]decanecarboxylate；3-methyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester；Tert-butyl 3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
• CAS: 187397-07-5
• 化学式: C₁₃H₂₁N₃O₄
• 分子量: 283.327
• InChiKey: WFYWNZAFKBBGCF-UHFFFAOYSA-N

物化性质

• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
  参考文献：
  名称：

  Effect of Cathepsin K Inhibitors on Bone Resorption

  摘要：

  Oil the basis of the pyrrolopyrimidine core structure that was previously discovered, cathepsin K inhibitors having a spiro amine at the P3 have been explored to enhance the target, bone marrow, tissue distribution. Several spiro structures were identified with improved distribution toward bone marrow. The representative inhibitor 7 of this series revealed in vivo reduction in C-terminal telopeptide of type I collagen in rats and monkeys.

  DOI：

  10.1021/jm800626a
• 作为产物：
  描述：

  1,3,8-三氮杂螺[4.5]癸烷-2,4-二酮 在 sodium hydride 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基乙酰胺 、 水 为溶剂， 反应 74.0h， 生成 tert-butyl-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
  参考文献：
  名称：

  Parallel solution- and solid-Phase synthesis of spirohydantoin derivatives as neurokinin-1 receptor ligands

  摘要：

  The combination of the 3,5-bis(trifluoromethyl)phenyl group with a spirohydantoin motive as a central scaffold was the basis for the design of a combinatorial library targeted towards the neurokinin-1 receptor. A solution-and solid-phase procedure is described and binding affinities of representative compounds presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00488-2

文献信息

• [EN] SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN<br/>[FR] INHIBITEURS SPIROCYCLIQUES SUBSTITUÉS DE L'AUTOTAXINE
  申请人：X RX DISCOVERY INC

  公开号：WO2015154023A1

  公开（公告）日：2015-10-08

  The present invention relates to compounds according to Formula 1 and pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancer, lymphocyte homing, chronic inflammation, neuropathic pain, fibrotic diseases, thrombosis, and cholestatic pruritus, mediated at least in part by ATX.

  本发明涉及根据公式1的化合物以及可药用的盐、合成方法、中间体、制剂以及用它们治疗疾病的方法，包括癌症、淋巴细胞归巢、慢性炎症、神经性疼痛、纤维化疾病、血栓形成和由ATX介导的胆汁淤积性瘙痒。
• Sulfone derivatives, process for their production and use thereof
  申请人：——

  公开号：US20030187023A1

  公开（公告）日：2003-10-02

  A compound represented by the formula: 1 wherein R is a cyclic hydrocarbon group, or the like; W is a bond, or the like; X is a divalent hydrocarbon group, or the like; Y and Z are each independently —N(R 6 )— or the like; ring A is a nitrogen-containing heterocyclic ring, or the like; R5 and R6 are independently hydrogen atom, a hydrocarbon group, or the like; Z′ is imidoyl group, or the like; a is 0, 1 or 2; and b is 0 or 1, or a salt thereof.

  一个由以下式表示的化合物： 其中R是一个环烃基团，或类似物；W是一个键，或类似物；X是一个二价碳氢基团，或类似物；Y和Z分别独立地为—N(R6)—或类似物；环A是一个含氮杂环环，或类似物；R5和R6独立地为氢原子、一个碳氢基团，或类似物；Z′是亚胺基团，或类似物；a为0、1或2；b为0或1，或其盐。
• [EN] NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE<br/>[FR] NOUVEAUX COMPOSÉS D'IMIDAZOPYRIDINE SUBSTITUÉS EN TANT QU'INHIBITEURS D'INDOLÉAMINE 2,3-DIOXYGÉNASE ET/OU DE TRYPTOPHANE-2,3-DIOXYGÉNASE
  申请人：IOMET PHARMA LTD

  公开号：WO2017189386A1

  公开（公告）日：2017-11-02

  Disclosed herein are substituted imidazopyridine compounds of formula (I) which are inhibitors of indoleamine 2,3-dioxygenase (IDO) and/or tryptophan-2,3-dioxygenase (TDO) enzymes: (I). Also disclosed herein are uses of the compounds in the potential treatment or prevention of an IDO- and/or TDO-associated disease or disorder. Also disclosed herein are compositions comprising these compounds. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO- and/or TDO-associated disease or disorder.

  本发明公开了式(I)的取代咪唑并吡啶化合物，其为吲哚胺2,3-双加氧酶(IDO)和/或色氨酸-2,3-双加氧酶(TDO)酶的抑制剂：(I)。还公开了这些化合物在潜在治疗或预防与IDO和/或TDO相关的疾病或障碍中的用途。还公开了包含这些化合物的组合物。进一步公开了这些组合物在潜在治疗或预防与IDO和/或TDO相关的疾病或障碍中的用途。
• Lactam compounds and methods of using the same
  申请人：Zhuo Jincong

  公开号：US20070129345A1

  公开（公告）日：2007-06-07

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性相关的各种疾病。
• 1,3,8-triaza- and 3,8-diaza-1-oxaspiro \x9b4,5! decane derivatives
  申请人：Syntex (U.S.A.) Inc.

  公开号：US05739336A1

  公开（公告）日：1998-04-14

  Heterocyclic compounds of Formula I: ##STR1## in which n is 2, 3, 4, 5 or 6; t is 1, 2, 3 or 4; u is 0 or 1 (provided that t is not 1 when u is 0); X is O or N(R.sup.4); Y and Z are independently C(O), C(S) or CH.sub.2 (provided that Y and Z are not both CH.sub.2); R.sup.1, R.sup.2, R.sup.3, and R.sup.4 are as defined in the specification; and their pharmaceutically acceptable salts and N-oxides, formulations containing them, their uses as therapeutic agents, and their synthesis.

  公式I的杂环化合物：##STR1##其中n为2、3、4、5或6；t为1、2、3或4；u为0或1（前提是当u为0时，t不是1）；X为O或N(R.sup.4)；Y和Z独立地为C(O)、C(S)或CH.sub.2（前提是Y和Z不同时为CH.sub.2）；R.sup.1、R.sup.2、R.sup.3和R.sup.4如规范中所定义；以及它们的药学上可接受的盐和N-氧化物，含有它们的配方，它们作为治疗剂的用途，以及它们的合成。