1,4-二氧杂螺[4.5]癸烷-8-甲胺 | 30482-25-8

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,4-二氧杂螺[4.5]癸烷-8-甲胺
• 中文别名: 1,4-二噁螺[4.5]癸烷-8-甲胺
• 英文名称: (1,4-dioxaspiro[4.5]decan-8-yl)methanamine
• 英文别名: 1,4-dioxaspiro[4,5]dec-8-ylmethanamine；(1,4-dioxa-spiro[4.5]dec-8-yl)-methyl-amine；1,4-Dioxaspiro[4.5]decan-8-ylmethanamine
• CAS: 30482-25-8
• 化学式: C₉H₁₇NO₂
• mdl: MFCD11040608
• 分子量: 171.239
• InChiKey: OEBYRQFXIBUGSR-UHFFFAOYSA-N

物化性质

• 沸点：
  270.1±15.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099
• 储存条件：
  存储条件：2-8℃，避光，惰性气体

反应信息

• 作为反应物：
  描述：

  1,4-二氧杂螺[4.5]癸烷-8-甲胺 在 氢氧化钾 、 甲酸 、 三乙胺 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 27.0h， 生成 (+/-)-N-[(2-acetyl-4,5,6,7-tetrahydro-2H-izoindol-5-yl)methyl]acetamide
  参考文献：
  名称：

  A general synthetic approach to novel conformationally restricted arginine side chain mimetics

  摘要：

  A general synthesis of several novel partially saturated, conformationally restricted heterobicyclic arginine side chain mimetics is described. These compounds are interesting peptidomimetic building blocks for incorporation into trypsin-like serine protease inhibitors. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01243-1
• 作为产物：
  描述：

  1,4-二噁螺[4.5]癸烷-8-甲醇 在 palladium on activated charcoal sodium azide 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1,4-二氧杂螺[4.5]癸烷-8-甲胺
  参考文献：
  名称：

  Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues

  摘要：

  Peptidomimetic inhibitors of thrombin lacking the important Ser195-carbonyl interaction have been prepared. The binding energy lost after the removal of the activated carbonyl was recaptured through a series of modifications of the PI residues of the bicyclic lactam inhibitors. Selected substituted compounds displayed useful pharmacological profiles both in vitro and in vivo. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00661-8

文献信息

• PYRIDINYL PYRAZOLES AS MODULATORS OF RORyT
  申请人：Janssen Pharmaceutica NV

  公开号：US20190382350A1

  公开（公告）日：2019-12-19

  The present invention comprises compounds of Formula I. wherein: R 1 , R 3 , R 4 , R 5 , R 6 , and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合症、疾病或疾病的方法，包括综合症、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
• PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT
  申请人：Janssen Pharmaceutica NV

  公开号：US20190382349A1

  公开（公告）日：2019-12-19

  The present invention comprises compounds of Formula I. wherein: R 1 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6、R7、R8和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
• PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORyT
  申请人：Janssen Pharmaceutica NV

  公开号：US20190382354A1

  公开（公告）日：2019-12-19

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R a , R b , Q 1 , and Q 2 are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： R1、R2、R3、R4、R5、Ra、Rb、Q1和Q2在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的方法。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
• Synthesis of Some Unsymmetrical Bridged Terpyridines
  作者：T. Ross Kelly、Rimma L. Lebedev

  DOI：10.1021/jo016250v

  日期：2002.4.1

  Novel unsymmetrical terpyridines 1 and 2 are synthesized using intra- and intermolecular Michael additions as the key reactions, followed by the construction of the central pyridine ring. Terpyridine 1 represents a heretofore unknown hexacyclic ring system.

  使用分子内和分子间迈克尔加成作为关键反应合成新的不对称三联吡啶1和2，然后构建中心吡啶环。特吡啶1代表迄今未知​​的六环系统。
• 2,3-oxidosqualene-lanosterol cyclase inhibitors
  申请人：——

  公开号：US20020045777A1

  公开（公告）日：2002-04-18

  The present invention relates to aminocyclohexanol derivatives useful for the treatment and/or prophylaxis of diseases which are associated with 2,3-oxidosqualene-lanosterol cyclase such as hypercholesterolemia, hyperlipemia, arteriosclerosis, vascular diseases, mycoses, gallstones, tumors and/or hyperproliferative disorders, and treatment and/or prophylaxis of impaired glucose tolerance and diabetes.

  本发明涉及氨基环己醇衍生物，用于治疗和/或预防与2,3-氧化甾二烯-鲨烯合酶相关的疾病，如高胆固醇血症、高脂血症、动脉硬化、血管疾病、真菌病、胆结石、肿瘤和/或增生性疾病，以及治疗和/或预防糖耐量受损和糖尿病。