3-氮杂螺[5.5]十一烷盐酸盐 | 1125-01-5

• 物质功能分类: 有机原料 - 螺环化合物
• 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
• 中文名称: 3-氮杂螺[5.5]十一烷盐酸盐
• 英文名称: 3-azaspiro[5.5]undecane hydrochloride
• 英文别名: WJ10；3-azaspiro[5,5]undecane hydrochloride；3-azaspiro[5.5]undecane;hydrochloride
• CAS: 1125-01-5
• 化学式: C₁₀H₁₉N*ClH
• 分子量: 189.728
• InChiKey: XDRWSBJRLMRJKA-UHFFFAOYSA-N

物化性质

• 溶解度：
  在水中溶解度为 100 mM，在 DMSO 中溶解度为 100 mM

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  12
• 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：
  12
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  3-氮杂螺[5.5]十一烷盐酸盐 在 吡啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 0.83h， 生成 4-(3-azaspiro[5.5]undecan-3-ylsulfonyl)aniline
  参考文献：
  名称：

  Discovery of Sulfonamidebenzamides as Selective Apoptotic CHOP Pathway Activators of the Unfolded Protein Response

  摘要：

  Cellular proteins that fail to fold properly result in inactive or disfunctional proteins that can have toxic functions. The unfolded protein response (UPR) is a two-tiered cellular mechanism initiated by eukaryotic cells that have accumulated misfolded proteins within the endoplasmic reticulum (ER). An adaptive pathway facilitates the clearance of the undesired proteins; however, if overwhelmed, cells trigger apoptosis by upregulating transcription factors such as C/EBP-homologous protein (CHOP). A high throughput screen was performed directed at identifying compounds that selectively upregulate the apoptotic CHOP pathway while avoiding adaptive signaling cascades, resulting in a sulfonamidebenzamide chemotype that was optimized. These efforts produced a potent and selective CHOP inducer (AC(50) = 0.8 mu M; XBP1 > 80 mu M), which was efficacious in both mouse embryonic fibroblast cells and a human oral squamous cell cancer cell line, and demonstrated antiproliferative effects for multiple cancer cell lines in the NCI-60 panel.

  DOI：

  10.1021/ml5003234
• 作为产物：
  描述：

  3-氮螺环[5,5]十一烷 在 盐酸 作用下， 以 乙醚 为溶剂， 以75%的产率得到3-氮杂螺[5.5]十一烷盐酸盐
  参考文献：
  名称：

  Wang, Jun; Cady, Sarah D.; Balannik, Victoria, Journal of the American Chemical Society, 2009, vol. 131, p. 8066 - 8076

  摘要：

  DOI：

文献信息

• SPIRO-PIPERIDINE INHIBITORS
  申请人：DeGrado William F.

  公开号：US20100069420A1

  公开（公告）日：2010-03-18

  Provided are compounds that are capable of modulating the activity of the influenza A virus via interaction with the M2 transmembrane protein. Also provided are methods for treating an influenza A-affected disease state or infection comprising administering a composition comprising one or more compounds that have been identified as being capable of interaction with the M2 protein.

  提供了一些化合物，这些化合物能够通过与M2跨膜蛋白相互作用来调节流感A病毒的活性。还提供了治疗受流感A影响的疾病状态或感染的方法，包括给予含有已被确定为能够与M2蛋白相互作用的一个或多个化合物的组合物。
• Growth Hormone secretagogues
  申请人：——

  公开号：US20040122234A1

  公开（公告）日：2004-06-24

  This invention relates to novel compounds which are useful in the modulation of endogenous growth hormone levels in a mammal. The invention further relates to novel intermediates for use in the synthesis of said compounds, as well as novel processes employed in these syntheses. Also included are methods of treating a mammal which include the administration of said compounds.

  本发明涉及一种新型化合物，该化合物在哺乳动物内调节内源性生长激素水平方面具有用途。本发明还涉及用于合成所述化合物的新型中间体，以及用于这些合成的新型过程。还包括包括给予所述化合物的治疗哺乳动物的方法。
• Congestive heart failure treatment
  申请人：ELI LILLY AND COMPANY

  公开号：EP0898963A2

  公开（公告）日：1999-03-03

  The invention provides methods for the modulation of cardiac function by the administration of a growth hormone secretagogue, which results in an increase in the levels of endogenous growth hormone. Also provided are methods for the treatment of congestive heart failure by the administration of a growth hormone secretagogue. Further provided are methods for the treatment of congestive heart failure by the administration of a growth hormone secretagogue in combination with a growth hormone releasing hormone, or in combination with an antihypertensive agent, diuretic, or other suitable agents.

  本发明提供了通过服用生长激素促泌剂来调节心脏功能的方法，这种促泌剂可提高内源性生长激素的水平。本发明还提供了通过服用生长激素分泌物治疗充血性心力衰竭的方法。此外，还提供了通过服用生长激素促泌剂与生长激素释放激素联合，或与降压药、利尿剂或其他合适的药物联合，治疗充血性心力衰竭的方法。
• Growth hormone secretagogues
  申请人：ELI LILLY AND COMPANY

  公开号：EP0933365A2

  公开（公告）日：1999-08-04

  This invention relates to novel compounds which are useful in the modulation of endogenous growth hormone levels in a mammal. The invention further relates to novel intermediates for use in the synthesis of said compounds, as well as novel processes employed in these syntheses. Also included are methods of treating a mammal which include the administration of said compounds.

  本发明涉及可用于调节哺乳动物体内内源性生长激素水平的新型化合物。本发明还涉及用于合成上述化合物的新型中间体，以及用于这些合成的新型工艺。本发明还包括治疗哺乳动物的方法，其中包括施用上述化合物。
• [EN] COMPOUND AS INHIBITOR OF COMPLEMENT FACTOR D, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF<br/>[FR] COMPOSÉ SERVANT D'INHIBITEUR DU FACTEUR D DU COMPLÉMENT, COMPOSITION PHARMACEUTIQUE ET UTILISATION ASSOCIÉES<br/>[ZH] 作为补体因子D抑制剂的化合物、其药物组合物和应用
  申请人：[en]WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD.;[zh]武汉朗来科技发展有限公司

  公开号：WO2023051793A1

  公开（公告）日：2023-04-06

  公开了一种作为补体因子D抑制剂的化合物、其药物组合物和应用，并具体公开了式(I)所示的化合物、其互变异构体、其立体异构体、其前药，或前述任一者的药学上可接受的盐，或前述任一者的溶剂化物，该化合物对补体因子D具有很好的抑制活性，且具有优良的药代和药效活性。 <