4-氨基-alpha-苯基苯乙腈 | 4760-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氨基-alpha-苯基苯乙腈
• 英文名称: 2-(4-Aminophenyl)-2-phenylacetonitrile
• 英文别名: α-(4-aminophenyl)benzeneacetonitrile；(4-Amino-phenyl)-phenyl-acetonitrile；(4-aminophenyl)-phenylacetonitrile；<4-Amino-phenyl>-phenyl-acetonitril；Phenyl-(4-amino-phenyl)-acetonitril；Phenyl-p-aminophenylacetonitril
• CAS: 4760-58-1
• 化学式: C₁₄H₁₂N₂
• mdl: MFCD21607649
• 分子量: 208.263
• InChiKey: ICAAICSDOCMEKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氨基-alpha-苯基苯乙腈 在 镍 氨 、 氢气 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 (+/-)-2-(p-Propionylamino-phenyl)-2-phenyl-ethylamin
  参考文献：
  名称：

  取代的2,2-二苯乙胺的合成及其肾上腺皮质激素抑制活性。

  摘要：

  DOI：

  10.1021/jm00301a003

文献信息

• 4,5-dihydro-isoxazole derivatives and their pharmaceutical use
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US06583141B1

  公开（公告）日：2003-06-24

  The present invention is concerned with the compounds of formula wherein m, n and p are each independently 0 or 1 and q is 0, 1, 2, 3, 4 or 5; —A1═A2—A3═A4— is a pyridinylidene, pyridazinylidene, pyrimidinylidene, pyrazinylidene or phenylidene; B represents an amide, ketone or oxadiazole; D represents Ar or Het; Q represents a covalent direct bond or a ketone, —N—, —O—, —CR5R6—, amide ethenyl, imine, sulfonyl, sulfinyl, 3-oxobutenyl, pyrazole, isoxazole or thiazole; L represents Ar or Het; R1 represents hydrogen, halo, hydroxy, C(2-6)alkenyl, C(2-6)alkynyl, C(3-6)cycloalkyl, C(3-6)cycloalkenyl, cyano, guanidine, nitro, NR17R18, an optionally substituted C(1-6)alkyl or C(1-6)alkyloxy; R2 and R3 each independently represent hydrogen, halo, C(1-6)alkyloxy or an optionally substituted C(1-6)alkyl; R5 and R6 each independently represent hydrogen, hydroxy, halo, an optionally substituted C(1-6)alkyl, C(2-6)alkenyl, C(2-6)alkynyl, C(3-6)cycloalkyl, C(3-6)cycloalkenyl, C(1-6)alkyloxy, cyano, (C═O)R25, (C═O)OR16, (SO2)R16, aminocarbonyloxy, aminoC(1-6)alkyl, NR17R18, N3, Ar or Het; or R5 and R6 together with the carbon atom to which they are attached, form an Ar or Het; Ar represents an optionally substituted C(6-14)aryl; Het represents an optionally substituted C(1-14)heterocycle; or a N-oxide, pharmaceutically acceptable addition salt, quaternary amine or stereochemically isomeric form thereof; the processes for their preparation and compositions comprising them. It further relates to their use as a medicine.

  本发明涉及以下式中的化合物，其中m、n和p分别独立地为0或1，q为0、1、2、3、4或5；—A1═A2—A3═A4—为吡啶基、吡啶并嗪基、嘧啶基、吡嗪基或苯基；B代表酰胺、酮或噁二唑基；D代表Ar或Het；Q代表共价直接键或酮、—N—、—O—、—CR5R6—、酰胺乙烯基、亚胺、磺酰基、亚砜基、3-氧代丁烯基、吡唑、异噁唑或噻唑；L代表Ar或Het；R1代表氢、卤素、羟基、C(2-6)烯基、C(2-6)炔基、C(3-6)环烷基、C(3-6)环烯基、氰基、胍胺基、硝基、NR17R18、可选择取代的C(1-6)烷基或C(1-6)烷氧基；R2和R3分别独立地代表氢、卤素、C(1-6)烷氧基或可选择取代的C(1-6)烷基；R5和R6分别独立地代表氢、羟基、卤素、可选择取代的C(1-6)烷基、C(2-6)烯基、C(2-6)炔基、C(3-6)环烷基、C(3-6)环烯基、C(1-6)烷氧基、氰基、(C═O)R25、(C═O)OR16、(SO2)R16、氨基羰氧基、氨基C(1-6)烷基、NR17R18、N3、Ar或Het；或R5和R6与它们连接的碳原子一起形成Ar或Het；Ar代表可选择取代的C(6-14)芳基；Het代表可选择取代的C(1-14)杂环；或其N-氧化物、药学上可接受的加合盐、季铵盐或立体化学异构体形式；以及它们的制备方法和包含它们的组合物。进一步涉及它们作为药物的用途。
• Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders
  申请人：——

  公开号：US20040209886A1

  公开（公告）日：2004-10-21

  Disclosed are pyrrolopyridazine compounds, methods of preparing such compounds, and their use for the treatment of proliferative, inflammatory, and other disorders.

  揭示了吡咯吡啶并嗪化合物，制备这类化合物的方法，以及它们用于治疗增殖性、炎症性和其他疾病的用途。
• Pyrrole Derivatives As Pharmaceutical Agents
  申请人：Canne Bannen Lynne

  公开号：US20080234270A1

  公开（公告）日：2008-09-25

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  提供了用于调节受体活性的化合物、组合物和方法。特别提供了用于调节受体活性的化合物和组合物，以及用于治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或紊乱的症状的方法。
• Fused pyrimidine compounds and their use as pharmaceuticals
  申请人：Beiersdorf-Lilly GmbH

  公开号：US05571813A1

  公开（公告）日：1996-11-05

  Pharmaceutical compounds which are azolo-fused pyrimidine compounds having the formula ##STR1## in which .dbd.A--B-- together with the pyrimidine ring forms a) a pyrazolo[1,5-a]pyrimidine of formula (A), ##STR2## b) a [1,2,4]triazolo[1,5-a]pyrimidine of formula (B), ##STR3## c) an imidazo[1,5-a]pyrimidine of formula (C), ##STR4## or d) an imidazo[1,2-a]pyrimidine of formula (D), ##STR5##

  具有以下公式的氮杂环并咪唑化嘧啶化合物的药物化合物：其中.dbd.A--B--与嘧啶环一起形成a) 公式(A)的嘧唑[1,5-a]嘧啶，b) 公式(B)的[1,2,4]三唑[1,5-a]嘧啶，c) 公式(C)的咪唑[1,5-a]嘧啶，或d) 公式(D)的咪唑[1,2-a]嘧啶。
• Pyrimidine compounds and their use as pharmaceuticals
  申请人：Beiersdorf-Lilly GmbH

  公开号：US05602137A1

  公开（公告）日：1997-02-11

  Compounds for treating cardiovascular or circulatory disorders of the formula ##STR1## and pharmaceutically acceptable salts thereof wherein R.sup.1, R.sup.2, R.sup.3, R.sup.7, Ar.sup.1, Ar.sup.2, X, Y, and n are defined herein.

  用于治疗心血管或循环系统疾病的化合物的公式为##STR1##以及其药学上可接受的盐，其中R.sup.1，R.sup.2，R.sup.3，R.sup.7，Ar.sup.1，Ar.sup.2，X，Y和n在此定义。