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5-(3-{(2S)-[(3R)-3-hydroxy-4-(3-trifluoromethyl-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-propyl)-thiophene-2-carboxylic acid methyl ester | 431990-11-3

中文名称
——
中文别名
——
英文名称
5-(3-{(2S)-[(3R)-3-hydroxy-4-(3-trifluoromethyl-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-propyl)-thiophene-2-carboxylic acid methyl ester
英文别名
methyl 5-[3-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
5-(3-{(2S)-[(3R)-3-hydroxy-4-(3-trifluoromethyl-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-propyl)-thiophene-2-carboxylic acid methyl ester化学式
CAS
431990-11-3
化学式
C24H28F3NO4S
mdl
——
分子量
483.552
InChiKey
HOYTVOVCZPPOOI-RBUKOAKNSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5
  • 重原子数:
    33
  • 可旋转键数:
    11
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    95.1
  • 氢给体数:
    1
  • 氢受体数:
    8

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Discovery of highly selective EP4 receptor agonists that stimulate new bone formation and restore bone mass in ovariectomized rats
    摘要:
    Heptanoic acid lactams. exemplified by 2, were identified as highly selective EP4 agonists via high throughput screening. Lead optimization led to the identification of lactams with a 30-fold increase in EP4 potency in vitro. Compounds demonstrated robust bone anabolic effects when administered in vivo in rat models of osteoporosis. (C) 2006 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2006.01.018
  • 作为产物:
    描述:
    5-(3-{2-oxo-5R-[3-oxo-4-(3-trifluoromethyl-phenyl)-but-1-enyl]-pyrrolidin-1-yl}-propyl)-thiophene-2-carboxylic acid methyl ester 在 palladium on activated charcoal 氢气(R)-2-甲基-CBS-恶唑硼烷儿萘酚硼烷 作用下, 以 二氯甲烷 为溶剂, 生成 5-(3-{(2S)-[(3R)-3-hydroxy-4-(3-trifluoromethyl-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-propyl)-thiophene-2-carboxylic acid methyl ester
    参考文献:
    名称:
    Discovery of highly selective EP4 receptor agonists that stimulate new bone formation and restore bone mass in ovariectomized rats
    摘要:
    Heptanoic acid lactams. exemplified by 2, were identified as highly selective EP4 agonists via high throughput screening. Lead optimization led to the identification of lactams with a 30-fold increase in EP4 potency in vitro. Compounds demonstrated robust bone anabolic effects when administered in vivo in rat models of osteoporosis. (C) 2006 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2006.01.018
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文献信息

  • Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist
    申请人:Lee G. Andrew
    公开号:US20050065133A1
    公开(公告)日:2005-03-24
    The present invention relates to pharmaceutical compositions and methods of treatment comprising administering to a patient in need thereof a combination of a 2-alkylidene-19-nor-vitamin D derivative and an EP 2 or EP 4 selective agonist or a pharmaceutically acceptable salt or prodrug thereof. Particularly, the present invention relates to pharmaceutical compositions and methods comprising administering to a patient in need thereof 2-methylene-19-nor-20(S)-1α,25-dihydroxyvitamin D 3 and an EP 2 or EP 4 selective agonist or a pharmaceutically acceptable salt or prodrug thereof.
    本发明涉及制药组合物和治疗方法,包括向需要的患者施用2-烷基亚甲基-19-去氢维生素D衍生物和EP2或EP4选择性激动剂或其药用可接受的盐或前药的组合物。特别地,本发明涉及制药组合物和方法,包括向需要的患者施用2-亚甲基-19-去氢-20(S)-1α,25-二羟基维生素D3和EP2或EP4选择性激动剂或其药用可接受的盐或前药。
  • EP4 receptor selective agonists in the treatment of osteoporosis
    申请人:——
    公开号:US20020065308A1
    公开(公告)日:2002-05-30
    This invention is directed to EP4 receptor selective prostaglandin agonists of the Formula I, 1 wherein R 2 , X, Z and Q are as defined in the specification. This invention is also directed to pharmaceutical compositions containing those compounds. This invention is also directed to methods of treating conditions which present with low bone mass, particularly osteoporosis, frailty, an osteoporotic fracture, a bone defect, childhood idiopathic bone loss, alveolar bone loss, mandibular bone loss, bone fracture, osteotomy, bone loss associated with periodontitis, or prosthetic ingrowth in a mammal comprising administering those compounds.
    这项发明针对公式I中的EP4受体选择性前列腺素激动剂,其中R2、X、Z和Q的定义如规范中所述。该发明还涉及含有这些化合物的药物组合物。该发明还涉及治疗低骨密度症状的方法,特别是骨质疏松症、虚弱、骨折、骨缺损、儿童特发性骨量减少、牙槽骨丧失、下颌骨丧失、骨折、骨切开术、与牙周炎相关的骨丧失或哺乳动物体内假体生长中的骨丧失,包括给予这些化合物。
  • [EN] CONTINUOUS COMBINATION THERAPY WITH SELECTIVE PROSTAGLANDIN EP4, RECEPTOR AGONISTS AND AN ESTROGEN FOR THE TREATMENT OF CONDITIONS THAT PRESENT WITH LOW BONE MASS<br/>[FR] POLYTHERAPIE CONTINUE AVEC DES AGONISTES SELECTIFS DES RECEPTEURS EP4 DE LA PROSTAGLANDINE ET UN OESTROGENE POUR LE TRAITEMENT DE PATHOLOGIES SE MANIFESTANT PAR UNE FAIBLE MASSE OSSEUSE
    申请人:PFIZER PROD INC
    公开号:WO2005060946A1
    公开(公告)日:2005-07-07
    This invention is directed to methods for treating conditions which present with low bone mass in a patient in need thereof using continuous combination therapy with a synergistically effective combination of an EP4 receptor selective agonist or a pharmaceutically acceptable salt thereof, such as 5-(3-2S-[3R-hydroxy­4-(3-trifluoromethyl-phenyl)-butyl]-5-oxo-pyrrolid in-1-yl}-propyl)-thiophene-2­carboxylic acid or a pharmaceutically acceptable salt thereof; and an estrogen or a pharmaceutically effective salt thereof. The present methods are useful for treating conditions that present with low bone mass including osteoporosis, osteotomy, osteoporotic fracture, childhood idiopathic bone loss, periodontitis and low bone mass and for enhancing bone healing following facial reconstruction, maxillary reconstruction or mandibular reconstruction, inducing vertebral synostosis, enhancing long bone extension, enhancing the healing rate of a bone graft or a long bone fracture or enhancing prosthetic ingrowth in a patient in need thereof.
    本发明涉及使用具有协同作用的EP4受体选择性激动剂或其药学上可接受的盐(例如5-(3-2S-[3R-羟基-4-(3-三氟甲基苯基)-丁基]-5-氧代吡咯烷-1-基}-丙基)-噻吩-2-羧酸或其药学上可接受的盐)和雌激素或其药学上有效的盐的连续联合疗法,用于治疗患有低骨密度的患者的疾病。本方法适用于治疗低骨密度症状,包括骨质疏松症、骨切开术、骨质疏松性骨折、儿童特发性骨质流失、牙周炎和低骨质量,以及增强面部重建、上颌重建或下颌重建后的骨愈合,诱导椎体融合,增强长骨延长,增强骨移植或长骨骨折的愈合速度或增强患者的假体生长。
  • Methods of treatment with selective EP4 receptor agonists
    申请人:——
    公开号:US20030207925A1
    公开(公告)日:2003-11-06
    The present invention provides a method of treating hypertension, liver failure, loss of patency of ductus arteriosus, glaucoma or ocular hypertension in a patient, comprising administering to the patient a therapeutically effective amount of a selective EP 4 receptor agonist of Formula I 1 or a prodrug thereof, a pharmaceutically acceptable salt of the selective EP 4 receptor agonist or prodrug or a stereoisomer or diastereomeric mixture of the EP 4 receptor agonist, prodrug or salt, wherein the variables X, Z, Q, , and R 2 are as defined in the specification.
    本发明提供了一种治疗患有高血压、肝功能衰竭、动脉导管未开放、青光眼或眼压增高的患者的方法,包括向患者施用公式I1中的选择性EP4受体激动剂或其前药的治疗有效量、选择性EP4受体激动剂的药学上可接受的盐或前药的盐,或EP4受体激动剂、前药或盐的立体异构体或对映体混合物,其中变量X、Z、Q、和R2如规范所定义。
  • EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS
    申请人:Pfizer Products Inc.
    公开号:EP1339678A2
    公开(公告)日:2003-09-03
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