5-benzhydryl-1-oxa-5-azaspiro[2.3]hexane | 199336-69-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-benzhydryl-1-oxa-5-azaspiro[2.3]hexane
• 英文别名: 5-(diphenylmethyl)-1-oxa-5-azaspiro[2.3]hexane；1-(diphenylmethyl)azetidine-3-spiro-2'-oxirane；1-Oxa-5-aza-5-(diphenylmethyl)spiro[2.3]hexane
• CAS: 199336-69-1
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: VSAOFTGTKKOYLI-UHFFFAOYSA-N

物化性质

• 沸点：
  355.9±32.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  15.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-benzhydryl-1-oxa-5-azaspiro[2.3]hexane 、 对氟苯硫酚 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.84h， 以80%的产率得到1-(diphenylmethyl)-3-{[(4-fluorophenyl)thio]methyl}azetidin-3-ol
  参考文献：
  名称：

  Novel 5-HT2A receptor ligands

  摘要：

  式I的化合物：是人类5-HT2A受体的拮抗剂，因此在治疗或预防各种神经系统疾病方面很有用。

  公开号：

  US20050101586A1
• 作为产物：
  描述：

  1-二苯甲基氮杂环丁烷-3-酮 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二甲基亚砜 为溶剂， 反应 2.67h， 生成 5-benzhydryl-1-oxa-5-azaspiro[2.3]hexane
  参考文献：
  名称：

  THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1568688B1

文献信息

• PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS
  申请人：Forma Therapeutics, Inc.

  公开号：US20160185785A1

  公开（公告）日：2016-06-30

  The invention relates to inhibitors of USP7 inhibitors useful in the treatment of cancers, neurodegenerative diseases, immunological disorders, inflammatory disorders, cardiovascular diseases, ischemic diseases, viral infections and diseases, and bacterial infections and diseases, having the Formula: where m, n, X 1 , X 2 , R 1 -R 5 , R 5′ and R 6 are described herein.

  这项发明涉及USP7抑制剂，用于治疗癌症、神经退行性疾病、免疫紊乱、炎症性疾病、心血管疾病、缺血性疾病、病毒感染和疾病、细菌感染和疾病，具有以下结构式： 其中m、n、X1、X2、R1-R5、R5'和R6如本文所述。
• SPIRO COMPOUND AND USE THEREOF
  申请人：Taniguchi Takahiko

  公开号：US20100069351A1

  公开（公告）日：2010-03-18

  The present invention aims to provide a novel SCD inhibitor. The present invention relate to SCD inhibitor comprising A compound represented by the formula (I) wherein R is an optionally substituted cyclic group or an optionally substituted carbamoyl group, provided that R is not an optionally substituted 7-pyrido[2,3-d]pyrimidyl group; ring A is an optionally further substituted pyridazine ring; R 1 , R 2 , R 3 , R 4 , R 11 , R 12 , R 13 and R 14 are each independently a hydrogen atom or a substituent, or R 1 and R 11 in combination, R 2 and R 12 in combination, R 3 and R 13 in combination, or R 4 and R 14 in combination optionally form an oxo group, or R 2 and R 4 in combination optionally form a bond or an alkylene cross-linkage; m and n are each independently an integer of 0 to 2; ring B is an optionally substituted ring, provided that the two atoms constituting ring B, which are adjacent to the spiro carbon atom, are not oxygen atoms at the same time, or a salt thereof, or a prodrug thereof.

  本发明旨在提供一种新型SCD抑制剂。本发明涉及一种包括下式（I）所表示的化合物的SCD抑制剂：其中R是一个可选择取代的环基或可选择取代的氨甲酰基，但R不是一个可选择取代的7-吡啶并[2,3-d]嘧啶基团；环A是一个可选择进一步取代的吡啶并嘧啶环；R1、R2、R3、R4、R11、R12、R13和R14分别独立地是氢原子或取代基，或R1和R11的组合体，R2和R12的组合体，R3和R13的组合体，或R4和R14的组合体可选择形成氧基，或R2和R4的组合体可选择形成键或烷基交联；m和n分别独立地是0到2的整数；环B是一个可选择取代的环，但构成环B的两个与螺碳原子相邻的原子不同时为氧原子，或其盐，或其前药。
• Azetidine, pyrrolidine and piperidine derivatives as 5-HT receptor
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06140347A1

  公开（公告）日：2000-10-31

  A class of compounds of formula (I) wherein Z, E, Q, T, U, V, W, M, R.sup.1, R.sup.7 and R.sup.8 are as defined herein; are selective agonists of 5-HT.sub.1 -like receptors, being potent agonists of the human 5-HT.sub.1D.alpha. receptor subtype whilst possessing at least a 10-fold selective affinity for the 5-HT.sub.1D.alpha. receptor subtype relative to the 5-HT.sub.1D.beta. subtype; they are therefore useful in the treatment and/or prevention of clinical conditions, in particular migraine and associated disorders, for which a subtype-selective agonist of 5-HT.sub.1D receptors is indicated, whilst eliciting fewer side-effects, notably adverse cardiovascular events, than those associated with non-subtype-selective 5-HT.sub.1D receptor agonists. ##STR1##

  一类化合物的化学式（I），其中Z，E，Q，T，U，V，W，M，R.sup.1，R.sup.7和R.sup.8的定义如本文所述；它们是5-HT.sub.1样受体的选择性激动剂，是人类5-HT.sub.1Dα受体亚型的有效激动剂，同时相对于5-HT.sub.1Dβ亚型具有至少10倍的选择性亲和力；因此，在治疗和/或预防临床病症方面非常有用，特别是偏头痛及相关疾病，需要5-HT.sub.1D受体亚型选择性激动剂，同时比非亚型选择性5-HT.sub.1D受体激动剂引起更少的副作用，尤其是不良心血管事件。
• Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient
  申请人：Akada Yasushige

  公开号：US20060040985A1

  公开（公告）日：2006-02-23

  An agent for preventing/treating respiratory diseases contains, as an active ingredient, a compound represented by following Formula (I): wherein A is a group represented by L-W [wherein L is a bond or CH 2 ; and W is O, SOn (wherein n is 0 to 2), or —NR 7 — (wherein R 7 is hydrogen or lower alkyl)]; each of G 1 and G 2 is (CH 2 )r (wherein r is 0 to 2), provided that when n is 1, G 1 and G 2 may be bridged by lower alkylene; Y is a lower alkylene or (substituted) benzylidene; Z is a bond or O, provided that when Z is a bond, Y may form a 5- or 6-membered ring with carbon on the benzene ring; R 1 is, for example, NO 2 , a lower alkoxycarbonyl, (substituted) carbamoyl, (protected) hydroxyl group, (protected) carboxyl, or (protected) N-hydroxycarbamoyl; each of R 2 and R 3 is hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy or NO 2 ; each of R 4 and R 5 is, for example, hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy, CN, or lower alkylsulfonyl; and R 6 is hydrogen or lower alkyl, a salt thereof or a solvate of them. It has excellent antitussive activity when used as an agent for preventing/treating respiratory diseases such as lung cancer, common cold syndrome, pulmonary tuberculosis, pneumonia, acute bronchitis or chronic bronchitis.

  一种用于预防/治疗呼吸系统疾病的药剂，其活性成分为以下式(I)所表示的化合物：其中A是由L-W表示的基团[其中L是键或CH2; W是O，SO n（其中n为0至2），或—NR7—（其中R7是氢或较低烷基）]；G1和G2分别为(CH2)r（其中r为0至2），但当n为1时，G1和G2可以由较低的烷基桥接；Y是较低的烷基或（取代的）苯甲亚基；Z是键或O，但当Z为键时，Y可以与苯环上的碳形成5-或6-成员环；R1为NO2、较低的烷氧羰基、（取代的）氨基甲酰基、（保护的）羟基、（保护的）羧基或（保护的）N-羟基氨基甲酰基；R2和R3分别为氢、卤素、（卤代的）较低烷基、（卤代的）较低烷氧基或NO2；R4和R5分别为氢、卤素、（卤代的）较低烷基、（卤代的）较低烷氧基、CN或较低烷基磺酰基；R6为氢或较低烷基，其盐或溶剂也可以使用。当用作预防/治疗肺癌、普通感冒综合症、肺结核、肺炎、急性支气管炎或慢性支气管炎等呼吸系统疾病的药剂时，具有优异的止咳活性。
• 5-HT2A receptor ligands
  申请人：Merk Sharp & Dohme Ltd.

  公开号：US07094777B2

  公开（公告）日：2006-08-22

  Compounds of formula I: are antagonists of the human 5-HT2A receptor, and hence useful in treatment or prevention of a variety of neurological conditions.

  化学式为I的化合物是人类5-HT2A受体的拮抗剂，因此在治疗或预防各种神经系统疾病方面非常有用。