cloruro acido della 2-metil-3-carbossi-4-fenil-1,2-diidro-1-ossiisochinolina | 78945-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: cloruro acido della 2-metil-3-carbossi-4-fenil-1,2-diidro-1-ossiisochinolina
• 英文别名: 2-methyl-1-oxo-1,2-dihydro-3-chloroformyl-4-phenylisoquinoline；2-methyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbonyl chloride；2-methyl-1-oxo-4-phenylisoquinoline-3-carbonyl chloride
• CAS: 78945-91-2
• 化学式: C₁₇H₁₂ClNO₂
• 分子量: 297.741
• InChiKey: JXHRYKZPGIUDAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cloruro acido della 2-metil-3-carbossi-4-fenil-1,2-diidro-1-ossiisochinolina 在 一水合肼 作用下， 以 苯 为溶剂， 反应 14.0h， 以73%的产率得到2-methyl-1-oxo-1,2-dihydro-3-carbazoyl-4-phenylisoquinoline
  参考文献：
  名称：

  Vittorio; Ronsisvalle; Marrazzo, Il Farmaco, 1995, vol. 50, # 4, p. 265 - 272

  摘要：

  DOI：
• 作为产物：
  描述：

  1-氧代-4-苯基-1,2-二氢异喹啉-3-羧酸 在 氢氧化钾 、 氯化亚砜 、 硫酸 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 18.5h， 生成 cloruro acido della 2-metil-3-carbossi-4-fenil-1,2-diidro-1-ossiisochinolina
  参考文献：
  名称：

  Duro; Santagati; Vittorio, Farmaco, Edizione Scientifica, 1981, vol. 36, # 6, p. 400 - 411

  摘要：

  DOI：

文献信息

• Isoquinolinones
  申请人：May & Baker Limited

  公开号：US05004747A1

  公开（公告）日：1991-04-02

  Therapeutically useful isoquinolinone derivatives of the formula A--X--R.sup.3, wherein A represents a group of the formula: ##STR1## wherein R.sup.1 and R.sup.2 represents cycloalkyl, alkyl, alkenyl or alkynyl optionally substituted by halogen or cycloalkyl, or represents optionally substituted aryl or heteroaryl, R.sup.4 represents hydrogen, halogen, optionally substituted alkyl, alkenyl or alkynyl, optionally substituted aryl or heteroaryl, or a group R.sup.6 O-- wherein R.sup.6 represents alkyl, aryl or arylalkyl, X represents ethylene or vinylene, R.sup.3 represents a group of the formula: --Y.sup.1 --CH.sub.2 --CH(OH)--CH.sub.2 --COOR.sup.5 wherein Y.sup.1 represents carbonyl, hydroxymethylene or --C(OR).sub.2 -- wherein R represents alkyl or the two R symbols together represent alkylene and R.sup.5 represents hydrogen or optionally substituted alkyl or R.sup.3 represents a lactol or lactone ring, and pharmaceutically acceptable salts thereof, processes for their preparation and compositions containing them are described.

  该专利描述了具有治疗用途的异喹啉酮衍生物，化学式为A--X--R.sup.3，其中A代表下列化学式的基团：##STR1## 其中R.sup.1和R.sup.2代表环烷基、烷基、烯基或炔基，可以选择地被卤素或环烷基取代，或者代表可以选择地被取代的芳基或杂环芳基，R.sup.4代表氢、卤素、可以选择地被取代的烷基、烯基或炔基、可以选择地被取代的芳基或杂环芳基，或者一个基团R.sup.6 O--，其中R.sup.6代表烷基、芳基或芳基烷基，X代表乙烯或乙烯基，R.sup.3代表下列化学式的基团：--Y.sup.1 --CH.sub.2 --CH(OH)--CH.sub.2 --COOR.sup.5 其中Y.sup.1代表酰基、羟甲基或--C(OR).sub.2--，其中R代表烷基或两个R符号一起代表亚烷基，R.sup.5代表氢或可以选择地被取代的烷基，或者R.sup.3代表内酯或内酯环，以及其药用盐，描述了它们的制备方法和含有它们的组合物。
• Novel, Potent, and Orally Active Substance P Antagonists: Synthesis and Antagonist Activity of N-Benzylcarboxamide Derivatives of Pyrido[3,4-b]pyridine
  作者：Hideaki Natsugari、Yoshinori Ikeura、Yutaka Kiyota、Yuji Ishichi、Takenori Ishimaru、Osamu Saga、Hideo Shirafuji、Toshimasa Tanaka、Izumi Kamo

  DOI：10.1021/jm00016a014

  日期：1995.8

  A series of 4-phenylisoquinolone derivatives were synthesized and evaluated for NK1 (substance P) antagonist activity. Highly potent antagonists, 4-phenyl-3-isoquinolone-N-benzylcarboxamides (11), were discovered from the structure-activity relationship studies on the isoquinolone-urea lead la. Optimization of the activity in this series resulted in the development of 5-phenyl-6-pyrido[3,4-b]pyridine-N-benzylcarboxamides (30) which are highly potent orally active NK1 antagonists. Among the compounds synthesized, N-[3,5-bis(trifluoromethyl)benzyl]7,8-dihydro-N, 7-dimethyl-8-oxo-5-(substituted phenyl)6-pyrido[3,4-b]pyridinecarboxamides (30a,f,g) showed excellent antagonist activities with IC50 values (in vitro inhibition of [I-125]- BH-SP binding in human IM-9 cells) of 0.21-0.34 nM and ED(50) values (in vivo inhibition of capsaicin-induced plasma extravasation in guinea-pig trachea, iv) of 0.017-0.030 mg/kg. These compounds exhibited significantly potent activity upon oral administration with ED(50) values of 0.068-0.17 mg/kg. Conformational studies on 30g indicated that the two stable conformers of 30g are quite similar to those of CP-99,994.
• DURO F.; SANTAGATI N. A.; VITTORIO F., FARMACO ED. SCI., 1981, 36, NO 6, 400-411
  作者：DURO F.、 SANTAGATI N. A.、 VITTORIO F.

  DOI：——

  日期：——
• US5004747A
  申请人：——

  公开号：US5004747A

  公开（公告）日：1991-04-02
• Vittorio; Ronsisvalle; Marrazzo, Il Farmaco, 1995, vol. 50, # 4, p. 265 - 272
  作者：Vittorio、Ronsisvalle、Marrazzo、Blandino

  DOI：——

  日期：——