3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷 | 3058-04-6

• 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 - 二恶烷
• 中文名称: 3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷
• 中文别名: 3,9-双(3-氰乙基)-2,4,8,10-四氧杂螺[5.5]十一烷；3,9-双(3-氰基乙基)-2,4,8,1-四氧杂螺[5.5]十一烷
• 英文名称: 3,8-Bis-<2-cyanaethyl>-2,4,7,9-tetraoxospiro<5,5>undecan
• 英文别名: 3,9-bis-(2-cyan-ethyl)-2,4,8,10-tetraoxa-spiro<5,5>undecan；3,9-bis-(2-cyano-ethyl)-2,4,8,10-tetraoxa-spiro[5.5]undecane；3,9-Bis-(2-cyan-aethyl)-2,4,8,10-tetraoxa-spiro[5.5]undecan；2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropiononitrile；2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile；3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
• CAS: 3058-04-6
• 化学式: C₁₃H₁₈N₂O₄
• 分子量: 266.297
• InChiKey: BNAMIPLIODPZLE-UHFFFAOYSA-N

物化性质

• 熔点：
  73-74 °C(Solv: ethanol (64-17-5))
• 沸点：
  187-199 °C(Press: 0.14 Torr)
• 密度：
  1.21±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2932999099
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38

反应信息

• 作为反应物：
  描述：

  3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷 在 二正丁基氧化锡 叠氮基三甲基硅烷 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 18.0h， 以67%的产率得到5,5'-[2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diylbis(ethane-2,1-diyl)]bis-1H-tetrazole
  参考文献：
  名称：

  [EN] PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS
  [FR] DERIVES DE PYRIMIDINE-2, 4-DIONE UTILISES COMME ANTAGONISTES DU RECEPTEUR D'HORMONE LIBERANT DE LA GONADOTROPHINE

  摘要：

  GnRH受体拮抗剂被披露，对男性和女性的各种与性激素相关的疾病具有治疗作用。本发明的化合物具有以下结构：其中R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X的定义如本文所述，包括立体异构体、前药和其药用可接受盐。还披露了含有本发明化合物的组合物与药用可接受载体的组合物，以及与在需要时对抗性腺激素释放激素的使用方法。

  公开号：

  WO2005007165A1
• 作为产物：
  描述：

  季戊四醇 、 3-氰基丙醛二乙基缩醛 在 对甲苯磺酸 作用下， 生成 3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷
  参考文献：
  名称：

  Some 3,9-Dicarboxylic Acids of 2,4,8,10-Tetroxaspiro[5.5]undecane

  摘要：

  DOI：

  10.1021/jo01094a033

文献信息

• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Guo Zhiqiang

  公开号：US20050038057A1

  公开（公告）日：2005-02-17

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , R 6 and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了GnRH受体拮抗剂，可用于治疗男女性激素相关疾病的多种情况。本发明的化合物具有以下结构：其中R1a，R1b，R1c，R2a，R2b，R3，R4，R5，R6和X的定义如本文所述，包括立体异构体，前药和其药物可接受的盐。还揭示了含有本发明化合物的组合物及其与药物可接受的载体的组合物，以及与用于拮抗需要该类物质的受试者的促性腺激素释放激素相关的方法。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Guo Zhiqiang

  公开号：US20070191403A1

  公开（公告）日：2007-08-16

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , R 6 and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明公开了具有治疗男女性激素相关疾病的效用的GnRH受体拮抗剂。本发明的化合物具有以下结构：其中，R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X的定义如本文所述，包括立体异构体、前药和其药物可接受的盐。本发明还公开了含有本发明化合物与药物可接受载体结合的组合物，以及与拮抗需要拮抗性腺激素释放激素的受试者相关的使用方法。
• Liquid composition for metachromatic members, and its use
  申请人：THE PILOT INK CO., LTD.

  公开号：EP1600482A1

  公开（公告）日：2005-11-30

  In a liquid composition for metachromatic members which is to be applied to a metachromatic member having a support and provided thereon a porous layer formed by fixing therein a low refractive index pigment in a disperse state together with a binder resin, the liquid composition has a liquid medium and dissolved and/or dispersed therein a solid matter having a refractive index of from 1.3 to 1.8. Also disclosed is a metachromatic member set having this liquid composition and a metachromatic member. The liquid composition for metachromatic members satisfies permanent preservability of images, having superior density retention and shape retention of images formed in the metachromatic member and being suitable for uses in which impressions of hands, feet and the like are taken and preserved or in which written images or stamped images are preserved.

  在一种用于变色构件的液体组合物中，该液体组合物具有液体介质，并溶解和/或分散有折射率为 1.3 至 1.8 的固体物质。此外，还公开了一种变色构件组，它具有这种液体组合物和一种变色构件。用于变色构件的液体组合物可永久保存图像，对在变色构件中形成的图像具有优异的密度保持力和形状保持力，适用于拍摄和保存手、脚等印模或保存书面图像或印章图像的用途。
• COMPOUND HAVING SUBSTANCE THAT HAS AFFINITY FOR SOLUBLE PROTEIN, CLEAVABLE MOIETY, AND REACTIVE GROUP, OR SALT THEREOF
  申请人：Ajinomoto Co., Inc.

  公开号：EP3617235A1

  公开（公告）日：2020-03-04

  The present invention provides a technique enabling modification of a soluble protein and in particular regioselective modification of a soluble protein. More specifically, the present invention provides a compound having an affinity substance to a soluble protein, a cleavable portion, and a reactive group represented by the following Formula (I):         A-L-B-R     (I) wherein A is an affinity substance to a soluble protein; L is a cleavable linker which is a divalent group comprising a cleavable portion; B is (a) a divalent group comprising a bioorthogonal functional group or (b) a divalent group comprising no bioorthogonal functional group; and R is a reactive group to the soluble protein; or a salt thereof.

  本发明提供了一种对可溶性蛋白质进行修饰的技术，特别是对可溶性蛋白质进行区域选择性修饰的技术。更具体地说，本发明提供了一种化合物，该化合物具有与可溶性蛋白质的亲和物质、可裂解部分和由下式（I）代表的活性基团： A-L-B-R (I) 其中 A 是与可溶性蛋白质亲和的物质； L 是可裂解连接体，是由可裂解部分组成的二价基团； B 是(a)包含生物正交官能团的二价基团或(b)不包含生物正交官能团的二价基团；以及 R 是可溶性蛋白质的活性基团；或 其盐。
• Liquid composition for metachromatic members, and metachromatic member set making use of the same
  申请人：Nakashima Akio

  公开号：US20050260362A1

  公开（公告）日：2005-11-24

  In a liquid composition for metachromatic members which is to be applied to a metachromatic member having a support and provided thereon a porous layer formed by fixing therein a low refractive index pigment in a disperse state together with a binder resin, the liquid composition has a liquid medium and dissolved and/or dispersed therein a solid matter having a refractive index of from 1.3 to 1.8. Also disclosed is a metachromatic member set having this liquid composition and a metachromatic member. The liquid composition for metachromatic members satisfies permanent preservability of images, having superior density retention and shape retention of images formed in the metachromatic member and being suitable for uses in which impressions of hands, feet and the like are taken and preserved or in which written images or stamped images are preserved.

  在一种用于变色构件的液体组合物中，该液体组合物具有液体介质，并溶解和/或分散有折射率为 1.3 至 1.8 的固体物质。此外，还公开了一种变色构件组，它具有这种液体组合物和一种变色构件。用于变色构件的液体组合物可永久保存图像，对在变色构件中形成的图像具有优异的密度保持力和形状保持力，适用于拍摄和保存手、脚等印模或保存书面图像或印章图像的用途。

表征谱图