4-cyano-1-naphthaleneisocyanate | 496841-05-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-cyano-1-naphthaleneisocyanate
• 英文别名: 4-isocyanato-1-naphthonitrile；4-cyano-l-naphthaleneisocyanate；4-cyanonaphthyl isocyanate；4-Isocyanatonaphthalene-1-carbonitrile
• CAS: 496841-05-5
• 化学式: C₁₂H₆N₂O
• 分子量: 194.192
• InChiKey: OVUAKGQELLNLTL-UHFFFAOYSA-N

物化性质

• 沸点：
  362.9±25.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-cyano-1-naphthaleneisocyanate 在 4 A molecular sieve 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 (7R,7aS)-4-(Tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-1-naphthalenecarbonitrile
  参考文献：
  名称：

  Discovery of Potent, Orally-Active, and Muscle-Selective Androgen Receptor Modulators Based on an N-Aryl-hydroxybicyclohydantoin Scaffold

  摘要：

  A novel, N-aryl-bicyclohydantoin selective androgen receptor modulator scaffold was discovered through structure-guided modifications of androgen receptor antagonists. A prototype compound (7R,7aS)-10b from this series is a potent and highly tissue-selective agonist of the androgen receptor. After oral dosing in a rat atrophied levator ani muscle model, (7R,7aS)-10b demonstrated efficacy at restoring levator ani muscle mass to that of intact controls and exhibited >50-fold selectivity for muscle over prostate.

  DOI：

  10.1021/jm061101w
• 作为产物：
  描述：

  4-氨基-1-萘羧腈 生成 4-cyano-1-naphthaleneisocyanate
  参考文献：
  名称：

  Bicyclic modulators of androgen receptor function

  摘要：

  该发明提供了公式I1中的化合物，其中取代基如本说明所述。进一步提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌少症，并且还提供了含有这些化合物的药物组合物。

  公开号：

  US20030055094A1

文献信息

• [EN] MONOCYCLIC N-ARYL HYDANTOIN MODULATORS OF ANDROGEN RECEPTOR FUNCTION<br/>[FR] MODULATEURS D'HYDANTOINE N-ARYL MONOCYCLIQUES DE LA FONCTION DU RECEPTEUR D'ANDROGENE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005049580A1

  公开（公告）日：2005-06-02

  The present invention relates to novel compounds useful in the treatment of androgen receptor associated conditions, such as age-related diseases, pharmaceutical compositions containing at least one of the compounds of the present invention and methods of treating a patient in need of therapy for an androgen receptor associated condition by administering a therapeutically effective amount of at least compound of the present invention.

  本发明涉及一种新型化合物，用于治疗与雄激素受体相关的疾病，如与年龄相关的疾病，包含至少一种本发明化合物的药物组合物，以及通过给予至少一种本发明化合物的治疗有效量来治疗需要治疗雄激素受体相关疾病的患者的方法。
• Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such
  申请人：Nique Francois

  公开号：US20100063120A1

  公开（公告）日：2010-03-11

  Compounds of formula (I): wherein X is O or S, R 1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R 2 is H. alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R 3 and R 4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R 3 and R 4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R 5 is H, halogen, trifluoromethyl, —CN, or —NO2; not all of R 3 , R 4 , and R 5 being H, R 6 and R 9 are H, halogen, OH; alkyl. hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R 7 and R 8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R 7 and R 8 not being H or halogen; or one of R 7 and R 8 is a pharmaceutically acceptable ester or thioester grouping, or R 6 is C 1-3 -alkyl or, together with either R 1 or R 2 , represents C 1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.

  式(I)的化合物：其中X为O或S，R1为酰基，醛基，环烷基，或可选择地取代的烷基，烯基或炔基，R2为H，烷基，羟基烷基，卤代烷基，烯基或炔基；取代烷基；烷基羰基；R3和R4为H，卤素，烷基，烯基，炔基，烷氧基，烷硫基，羟基烷基，卤代烷基，卤代烯基，或卤代炔基；或R3和R4形成一个，可选择的芳香或杂环，可选择地取代的环，R5为H，卤素，三氟甲基，-CN，或-NO2；R3，R4和R5中不全为H，R6和R9为H，卤素，羟基；烷基，羟基烷基，烷氧基，硫代烷基，卤代烷基，烯基，或炔基；R7和R8为H，卤素，羟基，硫氢基；烷氧基或烷硫基，可选择地由羟基和/或卤素取代；R7和R8中的一个不为H或卤素；或R7和R8中的一个为药用可接受的酯或硫酯基团，或R6为C1-3-烷基或，与R1或R2中的任一者一起，代表C1-3烷基或烯基链连接基，可选择地由甲基，三氟甲基，羟基，或卤素取代，以及其药用可接受的盐和酯，可用作选择性雄激素调节剂。
• [EN] BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION<br/>[FR] MODULATEURS BICYCLIQUES DE LA FONCTION DU RECEPTEUR ANDROGENE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003011824A1

  公开（公告）日：2003-02-13

  The invention provides compounds of the formula I [INSERT CHEMICAL STRUCTURE HERE]wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia, and also provided are pharmaceutical compositions containing such compounds.

  本发明提供了化合物I的公式[插入化学结构]，其中取代基如本文所述。还提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌肉萎缩症，还提供了含有这些化合物的制药组合物。
• Monocyclic N-aryl hydantoin modulators of androgen receptor function
  申请人：Bi Yingzhi

  公开号：US20050153968A1

  公开（公告）日：2005-07-14

  The present invention relates to novel compounds useful in the treatment of androgen receptor associated conditions, such as age-related diseases, pharmaceutical compositions containing at least one of the compounds of the present invention and methods of treating a patient in need of therapy for an androgen receptor associated condition by administering a therapeutically effective amount of at least compound of the present invention.

  本发明涉及一种新型化合物，可用于治疗与雄激素受体相关的疾病，如与年龄相关的疾病，药物组合物包含本发明中至少一种化合物和通过给予至少一种本发明中的化合物的治疗有效剂量来治疗需要治疗雄激素受体相关疾病的患者的方法。
• OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION
  申请人：Hamann G. Lawrence

  公开号：US20080108691A1

  公开（公告）日：2008-05-08

  There are provided nuclear hormone receptor modulating compounds of formula I wherein R 1 , R 2 , R 3 , X, Y, n and G are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia, and also provided are pharmaceutical compositions containing such compounds. Other embodiments are also disclosed.

  提供了具有I式的核激素受体调节化合物，其中R1、R2、R3、X、Y、n和G如本文所述。还提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，如肌肉萎缩症，同时还提供了含有这些化合物的制药组合物。还公开了其他实施例。