1,7-二氮杂螺[4.4]壬烷 | 34357-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂螺环衍生物
• 中文名称: 1,7-二氮杂螺[4.4]壬烷
• 英文名称: 1,7-diazaspiro<4.4>nonane
• 英文别名: 1,7-Diazaspiro[4.4]nonane
• CAS: 34357-58-9
• 化学式: C₇H₁₄N₂
• mdl: MFCD09834119
• 分子量: 126.202
• InChiKey: ITFXDMMGMUVIDF-UHFFFAOYSA-N

物化性质

• 沸点：
  92-95 °C(Press: 15 Torr)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1,7-二氮杂螺[4.4]壬烷 生成 (+/-)-N,N-Bis-nitroso-1,7-diazaspiro<4,4>nonane
  参考文献：
  名称：

  MAJER, Z.;KAJTAR, M.;TICHY, M.;BLAHA, K., COLLECT. CZECH. CHEM. COMMUN., 1982, 47, N 3, 950-960

  摘要：

  DOI：
• 作为产物：
  描述：

  1-苄基-1,7-二氮杂-螺[4.4]壬烷二盐酸盐 生成 1,7-二氮杂螺[4.4]壬烷
  参考文献：
  名称：

  CULBERTSON, TOWNLEY P.;SANCHEZ, JOSEPH P.;GAMBINO, LAURA;SESNIE, JOSEPHIN+, J. MED. CHEM., 33,(1990) N, C. 2270-2275

  摘要：

  DOI：

文献信息

• TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF
  申请人：SHANGHAI DE NOVO PHARMATECH CO LTD.

  公开号：US20140329800A1

  公开（公告）日：2014-11-06

  The present invention relates to a tri-heterocyclic derivatives, preparation process and uses thereof, specifically relates to a tri-heterocyclic derivatives of the formula (I) or a pharmaceutically acceptable salt thereof, preparation process, and further relates to a pharmaceutically acceptable composition comprising compounds of formula (I), or a pharmaceutically acceptable salt thereof, and their pharmaceutical use as inhibitors of kinase.

  本发明涉及一种三杂环衍生物，其制备过程及用途，具体涉及公式(I)的三杂环衍生物或其药学上可接受的盐，制备过程，并进一步涉及包含公式(I)化合物或其药学上可接受的盐的药学上可接受的组合物，以及它们作为激酶抑制剂的药用。
• IMIDAZO[1',2':1,6]PYRIDO[2,3-D]PYRIMIDINE COMPOUND AS PROTEIN KINASE INHIBITOR
  申请人：SHENGKE PHARMACEUTICALS (JIANGSU) LTD.

  公开号：US20200270251A1

  公开（公告）日：2020-08-27

  Provided is an imidazo[1′;2′:1,6]pyrido[2,3-d]pyrimidine compound of general formula (I). The compound can be used in treating a cell proliferative disorder and is a cyclin-dependent kinase (CDK) inhibitor with broad-spectrum and strong activity.

  提供的是一种通式为(I)的咪唑[1′;2′:1,6]吡啶[2,3-d]嘧啶化合物。该化合物可用于治疗细胞增殖紊乱，是一种具有广谱和强活性的周期蛋白依赖性激酶（CDK）抑制剂。
• 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF
  申请人：Babin Didier

  公开号：US20120208809A1

  公开（公告）日：2012-08-16

  The invention relates to novel 9H-pyrrolo[2,3-b:5,4-c′]dipyridine azacarbolines of formula (I), where: Z2, Z3, and Z4 are CH, CRa, CRs, or N; R3 is H, Hal; CF3, CHF2; OH, alkoxy; NH2, NH (alkyl), N(alkyl)2; C(O)O alkyl; CONH(alkyl), CON(alkyl)2; C1-C10 alkyl; aryl; heteroaryl; R6 is heteroaryl; Ra is CONH2, CONH alkyl, CONH cycloalkyl; CONH heterocycloalkyl; CON(alkyl)2; CON(alkyl)(heterocycloalkyl); CONHN(alkyl)2; C(O)heterocycloalkyl; Rs is H; Hal, OH; O-alkyl(C1-C10); NH2; N(alkyl(C1-C10) or cycloalkyl(C3-C7))2; NHC(O)R3a; N(alkyl(C1-C10)C(O)R3a; NHS(O2)R3a; N(alkyl)(C1-C10)S(O2)R3a; CO2R3a; SR3a; S(O)R3a; S(O2)R3a; Ra and Rs optionally form a cycle; R3a is selected from among Hal, CF3, C1-C10 alkyl; C3-C7 cycloalkyl; C2-C6 alkenyl; C2-C6 alkynyl; OH; O-alkyl(C1-C10); (C3-C7); heterocycloalkyl (C3-C7); NH2; NH-(alkyl(C1-C10) or cycloalkyl(C3-C7)); N(alkyl(C1-C10) or cycloalkyl(C3-C7))2; NH-(alkyl(C1-C10) or heterocycloalkyl(C3-C7)); N(alkyl(C1-C10) or heterocycloalkyl(C3-C7))2, as well as to the isomers and salts of said substances of formula (I) and to the therapeutic use thereof for treating cancer.

  该发明涉及公式（I）的新型9H-吡咯[2,3-b:5,4-c′]二吡啶氮杂碳醇，其中：Z2、Z3和Z4为CH、CRa、CRs或N；R3为H、Hal、CF3、CHF2、OH、烷氧基、NH2、NH（烷基）、N（烷基）2、C（O）O烷基、CONH（烷基）、CON（烷基）2、C1-C10烷基、芳基、杂环芳基；R6为杂环芳基；Ra为CONH2、CONH烷基、CONH环烷基、CONH杂环烷基、CON（烷基）2、CON（烷基）（杂环烷基）、CONHN（烷基）2、C（O）杂环烷基；Rs为H、Hal、OH、O-烷基（C1-C10）、NH2、N（烷基（C1-C10）或环烷基（C3-C7））2、NHC（O）R3a、N（烷基（C1-C10）C（O）R3a、NHS（O2）R3a、N（烷基）（C1-C10）S（O2）R3a、CO2R3a、SR3a、S（O）R3a、S（O2）R3a；Ra和Rs可选择形成环；R3a从Hal、CF3、C1-C10烷基、C3-C7环烷基、C2-C6烯基、C2-C6炔基、OH、O-烷基（C1-C10）、（C3-C7）、杂环烷基（C3-C7）、NH2、NH-（烷基（C1-C10）或环烷基（C3-C7））、N（烷基（C1-C10）或环烷基（C3-C7））2、NH-（烷基（C1-C10）或杂环烷基（C3-C7））、N（烷基（C1-C10）或杂环烷基（C3-C7））2中选择，以及所述公式（I）的异构体和盐，以及其治疗用途，用于治疗癌症。
• [EN] RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE<br/>[FR] ANTAGONISTE DE RORγ ET SON UTILISATION EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2020011147A1

  公开（公告）日：2020-01-16

  Provided herein are compounds as RORγ antagonist having Formula (I). The compounds or pharmaceutical composition thereof can be used for regulating Retinoid-related orphan receptor gamma t (RORγt). Also provided herein are methods of preparation of the compounds and composition thereof, and uses thereof in treating or preventing RORγt mediated inflammation or autoimmune diseases in mammals, particularly humans.

  本文提供的化合物为具有式（I）的RORγ拮抗剂。这些化合物或其药物组成物可用于调节视黄醇相关孤儿受体γ（RORγt）。本文还提供了这些化合物及其组成物的制备方法，以及在治疗或预防哺乳动物，特别是人类中的RORγt介导的炎症或自身免疫疾病中的用途。
• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：POLYPHOR AG

  公开号：US20150051183A1

  公开（公告）日：2015-02-19

  The conformationally restricted, spatially defined macrocyclic ring system of formula (I) is constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. Macrocycles described by this ring system I are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), inhibitory activity on enzymes or antimicrobial activity. In particular, these macrocycles show inhibitory activity on endothelin converting enzyme of subtype 1 (ECE-1) and/or the cysteine protease cathepsin S (CatS), and/or act as antagonists of the oxytocin (OT) receptor, thyrotropin-releasing hormone (TRH) receptor and/or leukotriene B4 (LTB4) receptor, and/or as agonists of the bombesin 3 (BB3) receptor, and/or show antimicrobial activity against at least one bacterial strain. Thus they are showing great potential as medicaments for a variety of diseases.

  公式（I）的构象受限、空间定义的大环环系统由三个不同的分子部分组成：模板A、构象调节剂B和桥C。由这种环系统I描述的大环可通过并行合成或溶液中或固相上的组合化学轻松制造。它们被设计用于与各种特定生物靶标类相互作用，例如在G蛋白偶联受体（GPCR）上的激动或拮抗活性，酶的抑制活性或抗菌活性。特别是，这些大环显示对亚型1的内皮素转化酶（ECE-1）和/或半胱氨酸蛋白酶卡特普辛S（CatS）的抑制活性，和/或作为催产素（OT）受体、促甲状腺释放激素（TRH）受体和/或白三烯B4（LTB4）受体的拮抗剂，和/或作为瘤胃素3（BB3）受体的激动剂，和/或对至少一种细菌菌株显示抗菌活性。因此，它们显示出作为各种疾病药物的巨大潜力。