4-丙基苯丁酸 | 25711-53-9

• 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-丙基苯丁酸
• 中文别名: 4-(4-丙基苯基)丁酸
• 英文名称: 4-(4-n-propylphenyl)butanoic acid
• 英文别名: 4-(4'-propylphenyl)butanoic acid；4-(4-propyl-phenyl)-butyric acid；4-(4-Propyl-phenyl)-buttersaeure；4-(4-(1-n-Propyl)phenyl)butanoic acid；p-(n-Propylphenyl)-buttersaeure；4-(4-propylphenyl)butanoic Acid
• CAS: 25711-53-9
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: HZWVRQFQUNIIBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  4-丙基苯丁酸 在 palladium hydroxide - carbon 4-二甲氨基吡啶 、 lithium hydroxide 、 正丁基锂 、 草酰氯 、 Ti(OiPr)Cl3 、 氢气 、 双氧水 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Orally active inhibitors of stromelysin-1 (MMP-3)

  摘要：

  Further development of N-carboxyalkyl dipeptide inhibitors of stromelysin-l (MMP-3) led to the discovery of C-carboxyalkyl dipeptide analogs with improved oral bioavailability. An in vivo assay of human MMP-3 mediated degradation of a macromolecular substrate in an extravascular space is described and inhibition studies are reported. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00109-6
• 作为产物：
  描述：

  正丙基苯 在 盐酸 、 三氯化铝 、 amalgamated zinc 、 硝基苯 作用下， 生成 4-丙基苯丁酸
  参考文献：
  名称：

  The Jacobsen Reaction. IX.¹ 6,7-Dialkyltetralins

  摘要：

  DOI：

  10.1021/ja01186a065

文献信息

• Carboxy-peptidyl derivatives as antidegenerative active agents
  申请人：Merck & Co., Inc.

  公开号：US05672583A1

  公开（公告）日：1997-09-30

  Novel Carboxy-peptidyl compounds of Formula I are found to be useful inhibitors of matrix metalloendoproteinase-mediated diseases including osteoarthritis, rheumatoid arthritis, septic arthritis, tumor invasion in certain cancers, periodontal disease, corneal ulceration, proteinuria, dystrophobic epidermolysis bullosa, coronary thrombosis associated with atherosclerotic plaque rupture, and aneurysmal aortic disease. The matrix metalloendoproteinases are a family of zinc-containing proteinases including but not limited to stromelysin, collagenase, and gelatinase, that are capable of degrading the major components of articular cartilage and basement membranes. The inhibitors claimed herein may also be useful in preventing the pathological sequelae following a traumatic injury that could lead to a permanent disability. These compounds may also have utility as a means for birth control by preventing ovulation or implantation. ##STR1##

  化学式I的新型羧肽化合物被发现可用作基质金属蛋白酶介导的疾病的抑制剂，包括骨关节炎、风湿性关节炎、脓毒性关节炎、某些癌症中的肿瘤侵袭、牙周病、角膜溃疡、蛋白尿、皮肤萎缩性表皮溃疡病、动脉粥样硬化斑块破裂引起的冠状动脉血栓形成以及动脉瘤性主动脉疾病。基质金属蛋白酶是一类含锌蛋白酶家族，包括但不限于基质金属蛋白酶、胶原酶和明胶酶，能够降解关节软骨和基底膜的主要成分。本声明的抑制剂也可能有助于预防因外伤而导致的病理性后遗症，可能导致永久残疾。这些化合物也可能作为一种避孕手段，通过阻止排卵或着床来实现。
• Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f]-[1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system
  作者：Y Kawakami、H Kitani、S Yuasa、M Abe、M Moriwaki、M Kagoshima、M Terasawa、T Tahara

  DOI：10.1016/0223-5234(96)85877-6

  日期：1996.1

  A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (+/-)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.
• US2130989
  申请人：——

  公开号：——

  公开（公告）日：——
• Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids
  作者：A.S.C. Wan、T.L. Ngiam、S.L. Leung、M.L. Go、P.W.S. Heng、(The Late) P.N. Natarajan、A. Shafiee、M. Vossoghi、F. Savabi、C.G. Francisco、R. Freire、R. Hernandez、J.A. Salazar、E. Suarez、G.A.Garcia De La Mora、Y.Grillasca R.、O. Jimeno

  DOI：10.1016/0039-128x(83)90101-0

  日期：1983.3

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.
• Chiral synthesis of C-carboxyalkyl dipeptide inhibitors of stromelysin-1 (MMP-3)
  作者：Mitree M. Ponpipom、William K. Hagmann

  DOI：10.1016/s0040-4020(99)00334-8

  日期：1999.5

  Enantioselective alkylation of chiral amide enolates derived From L-prolinol with beta-branched chiral iodides afforded good yields of hydroxy amide adducts. which were elaborated in four steps to give C-carboxyalkyl dipeptide inhibitors of stromelysin-1 (MMP-3). (C) 1999 Elsevier Science Ltd. All rights reserved.