4-cyano-4,4-diphenyl-butyric acid ethyl ester | 2997-23-1

• 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: 4-cyano-4,4-diphenyl-butyric acid ethyl ester
• 英文别名: 4-Cyan-4,4-diphenyl-buttersaeure-aethylester；4-carbethoxy-2,2-diphenylbutanenitrile；ethyl 4-cyano-4,4-diphenyl butanoate；ethyl 4-cyano-4,4-diphenylbutyrate；ethyl 4-cyano-4,4-diphenylbutanoate
• CAS: 2997-23-1
• 化学式: C₁₉H₁₉NO₂
• 分子量: 293.365
• InChiKey: CYUZTDQMVZGXKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-cyano-4,4-diphenyl-butyric acid ethyl ester 在 硫酸 作用下， 生成 2,2-二苯基戊二酸
  参考文献：
  名称：

  Salmon-Legagneur, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1941, vol. 213, p. 182,183

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴丙酸乙酯 、 二苯基氰基甲基钠 在 乙醇 作用下， 生成 4-cyano-4,4-diphenyl-butyric acid ethyl ester
  参考文献：
  名称：

  Salmon-Legagneur, Bulletin de la Societe Chimique de France, 1952, p. 994,998

  摘要：

  DOI：

文献信息

• Amine compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05633248A1

  公开（公告）日：1997-05-27

  A compound of the formula: ##STR1## wherein Ar.sup.1 and Ar.sup.2 independently represent an optionally substituted aromatic group; P and Q independently represent a divalent aliphatic hydrocarbon group having at least 2 carbon atoms and optionally having either oxygen or sulfur in the carbon chain; R.sup.1 and R.sup.3 independently represent --CO--R, --CONH--R (R represents a hydrocarbon group or a heterocyclic group) or a hydrocarbon group; R.sup.2 and R.sup.4 independently represent hydrogen or an alkyl group; R.sup.2 and R.sup.4 independently represent hydrogen or an alkyl group; R.sup.1 and R.sup.2 or R.sup.3 and R.sup.4, taken together with the adjacent nitrogen atom, may form a nitrogen-containing heterocyclic group; and j represents 0 or 1, or a salt thereof, has excellent GnRH-receptor antagonizing activity and is useful as a prophylactic and therapeutic agent for hormone-dependent and other diseases.

  式（I）化合物：##STR1## 其中，Ar1和Ar2各自独立地表示可任选取代的芳香族基团；P和Q各自独立地表示至少含有2个碳原子的二价脂肪族烃基，且可任选地在碳链中包含氧或硫；R1和R3各自独立地表示--CO--R、--CONH--R（R表示烃基或杂环基团）或烃基；R2和R4各自独立地表示氢或烷基；R2和R4各自独立地表示氢或烷基；R1和R2或R3和R4，与相邻的氮原子一起，可以形成含氮杂环基团；j表示0或1，或其盐，具有优异的促性腺激素释放激素（GnRH）受体拮抗活性，并可作为激素依赖性疾病及其他疾病的预防和治疗药物。
• Aromatic hydroxamix acid compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05891916A1

  公开（公告）日：1999-04-06

  A compound represented by the formula: ##STR1## wherein Ar.sup.1 and Ar.sup.2 independently represent an optionally substituted aromatic group; Q represents an optionally substituted divalent aliphatic hydrocarbon group optionally containing O or S; R.sup.1 represents H, acyl group, etc.; and X represents an electron-withdrawing group, an optionally substituted aromatic group, a group of the formula: ##STR2## wherein R.sup.2 and R.sup.3 independently represent H, acyl group or an optionally substituted hydrocarbon group, etc., etc.; or salts thereof are useful as an excellent anti-neurodegenerative agent.

  由以下化学式表示的化合物：##STR1## 其中Ar.sup.1和Ar.sup.2独立地表示一个可选择取代的芳香族基团；Q表示一个可选择取代的含有O或S的二价脂肪烃基团；R.sup.1表示H、酰基等；X表示一个吸电子基团，一个可选择取代的芳香族基团，一个具有以下化学式的基团：##STR2## 其中R.sup.2和R.sup.3独立地表示H、酰基或一个可选择取代的烃基团等等；或其盐可作为出色的抗神经退行性药剂。
• Condensed heterocyclic compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05607939A1

  公开（公告）日：1997-03-04

  The compound ##STR1## wherein ring A represents a benzene ring; Ar represents an aromatic group; R.sup.1 and R.sup.2 independently represent hydrogen, acyl or hydrocarbon group or R.sup.1 and R.sup.2 taken together with the adjacent nitrogen atom represent a nitrogen-containing heterocyclic group; m represents an integer of 1 to 6; n represents an integer of 2 to 3; ----- represents a single bond or a double bond; X stands for --O-- or --NR.sup.3 -- in which R.sup.3 represents hydrogen, acyl or hydrocarbon group where ----- is a single bond or .dbd.N-- where ----- is a double bond has excellent GnRH receptor antagonizing activity, calcium antagonizing and monoamine-uptake inhibiting activities and and value as a prophylactic/therapeutic drug for sex hormone-dependent diseases and for central nervous system diseases.

  化合物##STR1##其中环A代表苯环; Ar代表芳香基团; R.sup.1和R.sup.2独立地代表氢、酰基或烃基，或者R.sup.1和R.sup.2与相邻的氮原子结合形成含氮杂环基团; m代表1到6的整数; n代表2到3的整数; -----代表单键或双键; X代表--O--或--NR.sup.3 --其中R.sup.3代表氢、酰基或烃基，其中-----为单键或.dbd.N--其中-----为双键具有优异的GnRH受体拮抗活性、钙拮抗和单胺摄取抑制活性，具有作为预防/治疗性药物的价值，用于性激素依赖性疾病和中枢神经系统疾病。
• Diphenyl-1-(aminoalkyl)-2-piperidinone and -2-pyrrolidinone derivatives
  申请人：Fisons Corporation

  公开号：US05334720A1

  公开（公告）日：1994-08-02

  Compounds of the formula I, ##STR1## wherein R.sub.1, R.sub.2, R.sub.3 and R.sub.4 independently represent hydrogen, alkyl, phenyl or substituted phenyl with the proviso that two of R.sub.1, R.sub.2, R.sub.3 or R.sub.4 are phenyl or substituted phenyl and two of R.sub.1, R.sub.2, R.sub.3 or R.sub.4 are hydrogen or alkyl; m represents an integer from 1-2; and n represents an integer from 1-3; or a pharmaceutically acceptable salt thereof. The compounds are useful as pharmaceuticals, in particular, in the treatment of epilepsy.

  公式I的化合物，其中R1、R2、R3和R4独立地表示氢、烷基、苯基或取代苯基，但须满足R1、R2、R3或R4中的两个是苯基或取代苯基，而R1、R2、R3或R4中的另外两个是氢或烷基；m表示1-2之间的整数；n表示1-3之间的整数；或其药学上可接受的盐。这些化合物在药物学上有用，特别是在治疗癫痫方面。
• Aromatic hydroxamic acid compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0749957A1

  公开（公告）日：1996-12-27

  A compound represented by the formula: wherein Ar1 and Ar2 independently represent an optionally substituted aromatic group; Q represents an optionally substituted divalent aliphatic hydrocarbon group optionally containing O or S; R1 represents H, acyl group, etc.; and X represents an electron-withdrawing group, an optionally substituted aromatic group, a group of the formula: wherein R2 and R3 independently represent H, acyl group or an optionally substituted hydrocarbon group, etc., etc.; or salts thereof are useful as an excellent anti-neurodegenerative agent.

  由式表示的化合物： 其中 Ar1 和 Ar2 独立地代表一个任选取代的芳香族基团；Q 代表一个任选取代的二价脂族烃基团，其中任选含有 O 或 S；R1 代表 H、酰基等；X 代表一个抽电子基团、一个任选取代的芳香族基团、一个式中的基团： 其中 R2 和 R3 独立地代表 H、酰基或任选取代的烃基等等；或其盐类可作为一种极好的抗神经退行性药物。