3-(4-(3,5-dimethylphenylamino)-2-(((4-(2-(2-fluorophenyl)ethyl)tetrahydro-2H-pyran-4-yl)amino)carbonyl)phenyl)propanoic acid | 740852-45-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(4-(3,5-dimethylphenylamino)-2-(((4-(2-(2-fluorophenyl)ethyl)tetrahydro-2H-pyran-4-yl)amino)carbonyl)phenyl)propanoic acid
• 英文别名: 3-[4-(3,5-Dimethylanilino)-2-[[4-[2-(2-fluorophenyl)ethyl]oxan-4-yl]carbamoyl]phenyl]propanoic acid
• CAS: 740852-45-3
• 化学式: C₃₁H₃₅FN₂O₄
• 分子量: 518.628
• InChiKey: XGRWAORRANAUQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Carboxylic acid compounds
  申请人：Asada Masaki

  公开号：US20070167498A1

  公开（公告）日：2007-07-19

  The present invention relates to a carboxylic acid compound of formula (I): wherein R 1 is H, alkyl; m is 2, 3; n is 0-2; R 2 is phenyl, naphthyl, benzofuran, benzothiophene; Q is —CH 2 —O-Cyc1, —CH 2 -Cyc2, -L-Cyc3; R 3a and R 3b each independently is hydrogen, alkyl or taken together form tetrahydro-2H-pyran; a pharmaceutically acceptable salt thereof, a method for producing a process of the preparation thereof and a pharmaceutical agent comprising the same as an active ingredient. The compound of formula (I) have an antagonizing activity against PGE 2 receptor, specifically EP 3 receptor which is subtype thereof, and are useful for the prevention and/or treatment of itching, pain, urinary disturbance or stress disease.

  本发明涉及一种化学式（I）的羧酸化合物：其中，R1为H，烷基；m为2，3；n为0-2；R2为苯基，萘基，苯并呋喃基，苯并噻吩基；Q为—CH2—O-Cyc1，—CH2-Cyc2，-L-Cyc3；R3a和R3b各自独立地为氢，烷基或共同形成四氢-2H-吡喃基；其药学上可接受的盐，制备方法及其作为活性成分的制药剂。化合物（I）具有对PGE2受体的拮抗活性，特别是其亚型EP3受体，并且对于预防和/或治疗瘙痒，疼痛，尿路障碍或压力性疾病有用。
• CARBOXYLIC ACID COMPOUNDS
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1591441A1

  公开（公告）日：2005-11-02

  The present invention relates to a carboxylic acid compound of formula (I): wherein R1 is H, alkyl; m is 2, 3; n is 0-2; R2 is phenyl, naphthyl, benzofuran, benzothiophene; Q is -CH2-O-Cycl, -CH2-Cyc2, -L-Cyc3; R3a and R3b each independently is hydrogen, alkyl or taken together form tetrahydro-2H-pyran; a pharmaceutically acceptable salt thereof, a method for producing a process of the preparation thereof and a pharmaceutical agent comprising the same as an active ingredient. The compound of formula (I) have an antagonizing activity against PGE2 receptor, specifically EP3 receptor which is subtype thereof, and are useful for the prevention and/or treatment of itching, pain, urinary disturbance or stress disease.

  本发明涉及一种式（I）的羧酸化合物： 其中 R1 是 H、烷基；m 是 2、3；n 是 0-2；R2 是苯基、萘基、苯并呋喃、苯并噻吩；Q 是 -CH2-O-Cycl、-CH2-Cyc2、-L-Cyc3；R3a 和 R3b 各自独立地是氢、烷基或合在一起形成四氢-2H-吡喃；其药学上可接受的盐、其制备工艺的生产方法和包含其作为有效成分的药物制剂。式（I）化合物对 PGE2 受体，特别是其亚型 EP3 受体具有拮抗活性，可用于预防和/或治疗瘙痒、疼痛、排尿障碍或应激性疾病。
• REMEDY FOR URINARY TRACT DISEASES
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1642594A1

  公开（公告）日：2006-04-05

  A preventive and/or a remedy for urinary tract diseases with symptoms such as urgency of urination, bladder pain, frequent urination or urine incontinence which comprises a combination of compound having antagonism to EP1 with another compound having antagonism to EP3 each selected from among prostaglandin E2 receptors. The combination of an EP1 antagonist with an EP3 antagonist is useful in preventing and/or treating urinary tract diseases with symptoms such as urgency of urination, bladder pain, frequent urination or urine incontinence, because of showing effect of improving urine retaining ability, improving bladder compliance, relieving hypertonic detrusor muscle and normalizing bladder perception.

  一种具有尿急、膀胱痛、尿频或尿失禁等症状的尿路疾病的预防和/或治疗方法，它包括具有EP1拮抗作用的化合物与另一种具有EP3拮抗作用的化合物的组合，每种化合物都选自前列腺素E2受体。EP1拮抗剂与EP3拮抗剂的组合有助于预防和/或治疗伴有尿急、膀胱痛、尿频或尿失禁等症状的尿路疾病，因为其显示出改善尿液保留能力、改善膀胱顺应性、缓解高张力的逼尿肌和使膀胱感知正常化的效果。
• Remedy for urinary tract diseases
  申请人：Maruyama Takayuki

  公开号：US20070167500A1

  公开（公告）日：2007-07-19

  A preventive and/or a remedy for urinary tract diseases with symptoms such as urgency of urination, bladder pain, frequent urination or urine incontinence which comprises a combination of compound having antagonism to EP 1 with another compound having antagonism to EP 3 each selected from among prostaglandin E 2 receptors. The combination of an EP 1 antagonist with an EP 3 antagonist is useful in preventing and/or treating urinary tract diseases with symptoms such as urgency of urination, bladder pain, frequent urination or urine incontinence, because of showing effect of improving urine retaining ability, improving bladder compliance, relieving hypertonic detrusor muscle and normalizing bladder perception.
• US7576129B2
  申请人：——

  公开号：US7576129B2

  公开（公告）日：2009-08-18