2-(3-bromophenyl)butanoic acid | 934980-79-7

• 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: 2-(3-bromophenyl)butanoic acid
• 英文别名: Ethyl(3-bromophenyl)acetate
• CAS: 934980-79-7
• 化学式: C₁₀H₁₁BrO₂
• 分子量: 243.1
• InChiKey: HCRPFUQKLXWVGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-bromophenyl)butanoic acid 在 potassium dihydrogenphosphate 、 草酰氯 、 [(4-(N,N-二甲氨基)苯基]二叔丁基膦 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 2-(3-methylphenyl)-N-(4-(2-methyl-4-pyridinyl)phenyl)butanamide
  参考文献：
  名称：

  Discovery of 2-methylpyridine-based biaryl amides as γ-secretase modulators for the treatment of Alzheimer’s disease

  摘要：

  gamma-Secretase modulators (GSMs) are potentially disease-modifying treatments for Alzheimer's disease. They selectively lower pathogenic A beta 42 levels by shifting the enzyme cleavage sites without inhibiting gamma-secretase activity, possibly avoiding known adverse effects observed with complete inhibition of the enzyme complex. A cell-based HTS effort identified the sulfonamide 1 as a GSM lead. Lead optimization studies identified compound 25 with improved cell potency, PKDM properties, and it lowered A beta 42 levels in the cerebrospinal fluid ( CSF) of Sprague-Dawley rats following oral administration. Further optimization of 25 to improve cellular potency is described. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.041
• 作为产物：
  描述：

  3-溴苯乙酸 、 碘乙烷 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.5h， 生成 2-(3-bromophenyl)butanoic acid
  参考文献：
  名称：

  Discovery of 2-methylpyridine-based biaryl amides as γ-secretase modulators for the treatment of Alzheimer’s disease

  摘要：

  gamma-Secretase modulators (GSMs) are potentially disease-modifying treatments for Alzheimer's disease. They selectively lower pathogenic A beta 42 levels by shifting the enzyme cleavage sites without inhibiting gamma-secretase activity, possibly avoiding known adverse effects observed with complete inhibition of the enzyme complex. A cell-based HTS effort identified the sulfonamide 1 as a GSM lead. Lead optimization studies identified compound 25 with improved cell potency, PKDM properties, and it lowered A beta 42 levels in the cerebrospinal fluid ( CSF) of Sprague-Dawley rats following oral administration. Further optimization of 25 to improve cellular potency is described. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.041

文献信息

• [EN] NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE THIAZOLE ET SELS PHARMACEUTIQUEMENT ACCEPTABLES DE CEUX-CI
  申请人：YUNGJIN PHARMACEUTICAL CO LTD

  公开号：WO2020060112A1

  公开（公告）日：2020-03-26

  The present invention provides a novel thiazole derivative or a pharmaceutically acceptable salt thereof, and a method for preparing the same. The thiazole derivative or a pharmaceutically acceptable salt thereof according to the present invention has selective inhibitory activity against cyclin-dependent kinase (CDK) and thus can be usefully used as a preventive or therapeutic agent for various diseases associated with the CDK.

  本发明提供了一种新型噻唑衍生物或其药用可接受盐，并提供了其制备方法。根据本发明的噻唑衍生物或其药用可接受盐具有选择性抑制环依赖性激酶（CDK）的活性，因此可用作与CDK相关的各种疾病的预防或治疗剂。
• [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DU CANCER
  申请人：PROMETIC BIOSCIENCES INC

  公开号：WO2012097427A1

  公开（公告）日：2012-07-26

  New uses for phenylketone carboxylate compounds and substituted aromatic compounds of Formula I, Formula I.1, Formula I.2, Formula IA, Formula IB, Formula IC and Formula II and their pharmaceutical acceptable salts for the treatment of cancer. The use of a combination of two of these compounds is described and the use of the combination of one of these compounds with an anticancer agent such as decarbazine, doxorubicin, daunorubicin, cyclophosphamide, busulfex, busulfan, vinblastine, vincristine, bleomycin, etoposide, topotecan, irinotecan, taxotere, taxol, 5-fluorouracil, methotrexate, gemcitabine, cisplatin, carboplatin and chlorambucil.

  苯基酮羧酸酯化合物及取代的芳香族化合物I、I.1、I.2、IA、IB、IC和II及其药学上可接受的盐的新用途，用于治疗癌症。描述了两种这些化合物的组合使用，以及这些化合物中的一种与抗癌剂（如脱碳酰胺、阿霉素、柔红霉素、环磷酰胺、白消安、白消安、长春碱、长春新碱、博来霉素、依托泊苷、拓扑替康、伊立替康、紫杉醇、紫杉醇、5-氟尿嘧啶、甲氨蝶呤、吉西他滨、顺铂、卡铂和苯丁酸氮芥）组合使用的方法。
• TETRAHYDROISOQUINOLINE DERIVATIVES
  申请人：Astellas Pharma Inc.

  公开号：US20170233402A1

  公开（公告）日：2017-08-17

  Novel tetrahydroisoquinoline derivative compounds are disclosed herein that may be used as an active ingredient for a pharmaceutical composition, and in particular, for a pharmaceutical composition useful for preventing or treating a disease or condition responsive to modulation of the contractility of the skeletal sarcomere. This may be accomplished, for example, by modulation of the troponin complex of the fast skeletal muscle sarcomere through one or more of fast skeletal myosin, actin, tropomyosin, troponin C, troponin I, and troponin T, and fragments and isoforms thereof. The tetrahydroisoquinoline derivative compounds can thus be used as an agent for preventing or treating 1) neuromuscular disorders, 2) disorders of voluntary muscle, 3) CNS disorders in which muscle weakness, atrophy, and fatigue are prominent symptoms, 4) muscle symptoms stemming from systemic disorders, and 5) dysfunctions of pelvic floor and urethral/anal sphincter muscle.

  本文披露了一种新型四氢异喹啉衍生物化合物，可用作药物组合物的活性成分，特别是用于预防或治疗对调节骨骼肌肌丝收缩性反应的疾病或病况的药物组合物。例如，通过调节快速骨骼肌肌丝的肌钙蛋白复合物中的一个或多个，如快速骨骼肌肌肉球蛋白、肌动蛋白、肌动蛋白、肌钙蛋白C、肌钙蛋白I和肌钙蛋白T，以及其片段和同分异构体，可以实现这一目标。因此，四氢异喹啉衍生物化合物可用作预防或治疗以下疾病：1）神经肌肉疾病，2）自主肌肉疾病，3）中枢神经系统疾病，其中肌无力、萎缩和疲劳是突出症状，4）源自全身性疾病的肌肉症状，以及5）盆底和尿道/肛门括约肌功能障碍。
• 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。
• 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。