6-{(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl}isoquinoline-1-carbonitrile | 1612756-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-{(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl}isoquinoline-1-carbonitrile
• 英文别名: 6-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]isoquinoline-1-carbonitrile
• CAS: 1612756-04-3
• 化学式: C₁₆H₁₄F₃N₃O
• 分子量: 321.302
• InChiKey: OSEMOZPIAHJAPG-CABCVRRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-溴异喹啉 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 间氯过氧苯甲酸 、 cesium fluoride 、 2-碘酰基苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， 反应 23.25h， 生成 6-{(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl}isoquinoline-1-carbonitrile 、 6-{(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl}isoquinoline-1-carbonitrile
  参考文献：
  名称：

  [EN] CARBONITRILE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS
  [FR] DÉRIVÉS CARBONITRILES EN TANT QUE MODULATEURS SÉLECTIFS DU RÉCEPTEUR DES ANDROGÈNES

  摘要：

  公开号：

  WO2015181676A4

文献信息

• NOVEL SELECTIVE ANDROGEN RECEPTOR MODULATORS
  申请人：Pfizer Inc.

  公开号：US20140155390A1

  公开（公告）日：2014-06-05

  The present invention relates to a compound of Formula 1, 2 or 3: wherein A is N or —CR 0 —, where R 0 is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc., Z is —CR e —, or, —N—, where R e is hydrogen, C 1 -C 6 linear or branched chain alkyl,etc.; R 1 is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc.; R 2 are independently hydrogen or C 1 -C 6 linear or branched chain alkyl; R 3 and R 4 are independently hydrogen, C 1 -C 6 linear or branched chain alkyl, etc.;. R 5 and R 6 are independently hydrogen or C 1 -C 6 linear or branched chain alkyl, etc.; R 8 is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc.; R 9 and R 10 are independently hydrogen or C 1 -C 6 linear or branched chain alkyl, etc.; Q is —CO—, —(CH 2 ) q —, —(CHR s ) q —, or (CR s R t ) q —, where R s and R t are independently C 1 -C 6 linear or branched chain alkyl, aryl, alkylaryl, heteroaryl or alkylheteroaryl; where q is 0, 1, 2, or 3; and, where n is 0, 1, 2, 3, 4 or 5; or, a pharmaceutically acceptable salt thereof, to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly, those affected or mediated by the androgen receptor.

  本发明涉及一种具有化学式1、2或3的化合物：其中A为N或—CR0—，其中R0为氢、C1-C6直链或支链烷基等，Z为—CRe—或—N—，其中Re为氢、C1-C6直链或支链烷基等；R1为氢、C1-C6直链或支链烷基等；R2独立地为氢或C1-C6直链或支链烷基；R3和R4独立地为氢、C1-C6直链或支链烷基等；R5和R6独立地为氢或C1-C6直链或支链烷基等；R8为氢、C1-C6直链或支链烷基等；R9和R10独立地为氢或C1-C6直链或支链烷基等；Q为—CO—、—(CH2)q—、—(CHRs)q—或(CRsRt)q—，其中Rs和Rt独立地为C1-C6直链或支链烷基、芳基、烷基芳基、杂芳基或烷基杂芳基；其中q为0、1、2或3；n为0、1、2、3、4或5；或其药学上可接受的盐，以及含有这种化合物的组合物；以及这种化合物在治疗各种疾病中的用途，特别是那些受雄激素受体影响或介导的疾病。
• Methods of use and combinations
  申请人：Pfizer Inc.

  公开号：US10328082B2

  公开（公告）日：2019-06-25

  The present invention relates to a compound of Formula 1, 2 or 3: wherein A is N or —CR0—, where R0 is hydrogen, C1-C6 linear or branched chain alkyl, etc., Z is —CRe—, or, —N—, where Re is hydrogen, C1-C6 linear or branched chain alkyl, etc.; R1 is hydrogen, C1-C6 linear or branched chain alkyl, etc.; R2 are independently hydrogen or C1-C6 linear or branched chain alkyl; R3 and R4 are independently hydrogen, C1-C6 linear or branched chain alkyl, etc.; R5 and R6 are independently hydrogen or C1-C6 linear or branched chain alkyl, etc.; R8 is hydrogen, C1-C6 linear or branched chain alkyl, etc.; R9 and R10 are independently hydrogen or C1-C6 linear or branched chain alkyl, etc.; Q is —CO—, —(CH2)q—, —(CHRs)q—, or —(CRsRt)q—, where Rs and Rt are independently C1-C6 linear or branched chain alkyl, aryl, alkylaryl, heteroaryl or alkylheteroaryl; where q is 0, 1, 2, or 3; and, where n is 0, 1, 2, 3, 4 or 5; or, a pharmaceutically acceptable salt thereof, for the treatment of certain diseases, particularly those affected or mediated by the androgen receptor; to combinations comprising such compounds with a second pharmaceutically active ingredient; to compositions containing such combinations; and to such combinations for the treatment of various diseases, particularly, those affected or mediated by the androgen receptor.

  本发明涉及式 1、2 或 3 的化合物： 其中 A 是 N 或 -CR0-，其中 R0 是氢、C1-C6 直链或支链烷基等、Z 是-CRe-，或，-N-，其中 Re 是氢、C1-C6 直链或支链烷基等；R1 是氢、C1-C6 直链或支链烷基等；R2 独立地是氢、C1-C6 直链或支链烷基等；R3 和 R4 独立地是氢、C1-C6 直链或支链烷基等；R5 和 R6 独立地是氢、C1-C6 直链或支链烷基等；R8 是氢、C1-C6 直链或支链烷基等；R9 和 R10 独立地是氢、C1-C6 直链或支链烷基等。Q为-CO-、-(CH2)q-、-(CHRs)q-或-(CRsRt)q-，其中 Rs 和 Rt 独立为 C1-C6 直链或支链烷基、芳基、烷芳基、杂芳基或烷基杂芳基；q 为 0、1、2 或 3；n 为 0、1、2、3、4 或 5；或其药学上可接受的盐，用于治疗某些疾病，特别是受雄激素受体影响或介导的疾病；包含此类化合物与第二种药学活性成分的组合物；包含此类组合物的组合物；以及用于治疗各种疾病，特别是受雄激素受体影响或介导的疾病的此类组合物。
• CARBONITRILE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS
  申请人：Pfizer Inc.

  公开号：EP3148587B1

  公开（公告）日：2021-02-24
• METHODS OF USE AND COMBINATIONS
  申请人：Pfizer Inc.

  公开号：US20170252352A1

  公开（公告）日：2017-09-07

  The present invention relates to a compound of Formula 1, 2 or 3: I II III wherein A is N or —CR 0 —, where R 0 is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc., Z is —CR e —, or, —N—, where R e is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc.; R 1 is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc.; R 2 are independently hydrogen or C 1 -C 6 linear or branched chain alkyl; R 3 and R 4 are independently hydrogen, C 1 C 6 linear or branched chain alkyl, etc.; R 5 and R 6 are independently hydrogen or C 1 -C 6 linear or branched chain alkyl, etc.; R 8 is hydrogen, C 1 -C 6 linear or branched chain alkyl, etc.; R 9 and R 10 are independently hydrogen or C 1 -C 6 linear or branched chain alkyl, etc.; Q is —CO—, —(CH 2 ) q —, —(CHR s ) q —, or —(CR s R t ) q —, where R s and R t are independently C 1 -C 6 linear or branched chain alkyl, aryl, alkylaryl, heteroaryl or alkylheteroaryl; where q is 0, 1, 2, or 3; and, where n is 0, 1, 2, 3, 4 or 5; or, a pharmaceutically acceptable salt thereof, for the treatment of certain diseases, particularly those affected or mediated by the androgen receptor; to combinations comprising such compounds with a second pharmaceutically active ingredient; to compositions containing such combinations; and to such combinations for the treatment of various diseases, particularly, those affected or mediated by the androgen receptor.
• US9328104B2
  申请人：——

  公开号：US9328104B2

  公开（公告）日：2016-05-03