1,4-dimethyl-decahydro-quinoxaline | 41712-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,4-dimethyl-decahydro-quinoxaline
• 英文别名: 1,4-Dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
• CAS: 41712-10-1
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: LGUDBXQVURAVTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,2-环己二酮 、 N,N'-二甲基乙二胺 在 glucose-6-phosphate dehydrogenase 、 glucose-6-phosphate 、 Myxococcus stipitatus R-selective imine reductase 、 还原型辅酶II(NADPH)四钠盐 、 magnesium chloride 作用下， 以 aq. phosphate buffer 为溶剂， 反应 4.0h， 生成 1,4-dimethyl-decahydro-quinoxaline
  参考文献：
  名称：

  从二胺和二羰基生物催化获得哌嗪

  摘要：

  考虑到哌嗪作为生产药物的基础材料的广泛重要性，非常需要有效和选择性的合成。在这里，我们显示了使用来自粘球菌的R-选择性亚胺还原酶作为生物催化剂，从1,2-二羰基和1,2-二胺底物直接合成哌嗪的方法。在温和的反应条件下获得了高达每升8.1克的各种具有高活性和优异对映选择性的N和C取代的哌嗪。

  DOI：

  10.1021/acscatal.8b00291

文献信息

• SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20160257657A1

  公开（公告）日：2016-09-08

  A compound, or a pharmaceutically acceptable salt or ester thereof, according to formula I: R 20 —(Z) b —(Y) c —(R 21 ) a —(X) d —R 22 —R 23 wherein R 20 is aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a thio-containing group, or a seleno-containing group; Z is alkanediyl, substituted alkanediyl, cycloalkanediyl, or substituted cycloalkanediyl; Y is S, O, S(═O), —S(═O)(═O)—, or NR 10 , wherein R 10 is H or alkyl; R 21 is alkanediyl, substituted alkanediyl, cycloalkanediyl, substituted cycloalkanediyl alkadienyl, substituted alkadienyl, alkatrienyl, substituted alkatrienyl; X is —C(═O)—, —S(═O)(═O)—, or —N(H)C(═O)—; R 22 includes at least one divalent amino radical; R 23 is aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a thio-containing group, or a seleno-containing group; a, b, c, and d independently are 0 or 1.

  根据公式I，化合物或其药学上可接受的盐或酯，其中R20为芳基，取代芳基，杂环芳基，取代杂环芳基，杂环烷基，取代杂环烷基，烷氧基，芳基氧基，含硫基或含硒基；Z为烷二基，取代烷二基，环烷二基或取代环烷二基；Y为S，O，S(═O)，—S(═O)(═O)—或NR10，其中R10为H或烷基；R21为烷二基，取代烷二基，环烷二基，取代环烷二基，烯丙基，取代烯丙基，烯三基或取代烯三基；X为—C(═O)—，—S(═O)(═O)—或—N(H)C(═O)—；R22至少包括一个二价氨基基团；R23为芳基，取代芳基，杂环芳基，取代杂环芳基，杂环烷基，取代杂环烷基，烷氧基，芳基氧基，含硫基或含硒基；a、b、c和d独立地为0或1。
• COMPOUNDS FOR TREATING PROSTATE CANCER
  申请人：UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：US20160264540A1

  公开（公告）日：2016-09-15

  A compound, or a pharmaceutically acceptable salt or ester thereof, having a formula I of: R 20 —(Z) b —(Y) c —(R 21 ) a —X—R 22 -R 23 wherein R20 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group; Z is alkanediyl, substituted alkanediyl, cycloalkanediyl, or substituted cycloalkanediyl; Y is S, O, or NR 10 , wherein R 10 is H or alkyl; R 21 is alkanediyl, substituted alkanediyl, cycloalkanediyl, substituted cycloalkanediyl, alkadienyl, substituted alkadienyl, alkatrienyl, substituted alkatrienyl; X is —C(=0)- or —S(=0)(=0)-; R 22 is a moiety that includes at least one divalent amino radical; R 23 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group; a is 0 or 1; b is 0 or 1; and c is 0 or 1; provided that if X is —C(=0)- then Y is not S.

  化合物，或其药学上可接受的盐或酯，其具有公式I：R20—(Z)b—(Y)c—(R21)a—X—R22-R23，其中R20是芳基，取代芳基，杂环芳基，取代杂环芳基，杂环烷基，取代杂环烷基，烷氧基，芳氧基，含硅基团，含硼基团，含膦基团，氨基，含硫基团，含硒基团，卤素或含硝基团；Z是烷二基，取代烷二基，环烷二基或取代环烷二基；Y是S，O或NR10，其中R10是H或烷基；R21是烷二基，取代烷二基，环烷二基，取代环烷二基，烯二基，取代烯二基，烯三基，取代烯三基；X是—C（=0）-或—S（=0）（=0）-；R22是至少包含一个双价氨基基团的基团；R23是芳基，取代芳基，杂环芳基，取代杂环芳基，杂环烷基，取代杂环烷基，烷氧基，芳氧基，含硅基团，含硼基团，含膦基团，氨基，含硫基团，含硒基团，卤素或含硝基团；a为0或1；b为0或1；c为0或1；但如果X是—C（=0）-，则Y不是S。
• [EN] DEUTERATED AKT KINASE INHIBITOR<br/>[FR] INHIBITEUR DE KINASE AKT DEUTÉRÉ<br/>[ZH] 氘代AKT激酶抑制剂
  申请人：NANJING CHIA TAI TIANQING PHARMACEUTICAL CO LTD

  公开号：WO2021228223A1

  公开（公告）日：2021-11-18

  本公开涉及氘代AKT激酶抑制剂，具体地，涉及式I所示的化合物，或其药学上可接受的盐。本发明还提供了其制备方法，以及用于预防和/或治疗AKT蛋白激酶介导的疾病的用途。
• SMALL MOLECULES TARGETING ANDROGEN RECEPTOR NUCLEAR LOCALIZATION AND/OR LEVEL IN PROSTATE CANCER
  申请人：University of Pittsburgh - Of the Commonweath System of Higher Education

  公开号：US20140371235A1

  公开（公告）日：2014-12-18

  A method for treating prostate cancer in a subject, comprising administering a therapeutically effective amount of at least one agent to the subject, wherein the agent is selected from: (a) a phenyl-substituted imidazole, or a pharmaceutically acceptable salt or ester thereof; or (b) a compound, or a pharmaceutically acceptable salt or ester thereof, having a formula I of: wherein R 20 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group; R 21 is an alkanediyl or a substituted alkanediyl; a is 0 or 1; c is 0 or 1; X is C or S; R 22 is a moiety that includes at least one divalent amino radical; and R 23 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group.
• US9708276B2
  申请人：——

  公开号：US9708276B2

  公开（公告）日：2017-07-18