庚酸环戊酯 | 5454-23-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 庚酸环戊酯
• 英文名称: cyclopentyl heptanoate
• CAS: 5454-23-9
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: XQIVRADFTDIBRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环戊醇 、 庚酰氯 在 三乙胺 作用下， 反应 4.0h， 生成 庚酸环戊酯
  参考文献：
  名称：

  Pandey, Karuna Shanker; Mendki, Murlidhar Jaywantrao; Rao, Karumuru Mallikarjuna, Bioscience, Biotechnology and Biochemistry, 1995, vol. 59, # 4, p. 725 - 727

  摘要：

  DOI：

文献信息

• Cyclopentane heptan(ene)oic acid, 2-thiocarbamoyloxy and 2-carbamoyloxy compounds as therapeutic agents
  申请人：Old W. David

  公开号：US20050054689A1

  公开（公告）日：2005-03-10

  The invention relates to the use of cyclopentane heptan(ene)oic acid, 2-thiocarbamoyloxy and carbamoyloxy as therapeutic agents e.g. as ocular hypotensives. The compounds used in accordance with the invention are represented by the following formula I: wherein a wavy segments indicate either the alpha (α) or beta (β) configuration; the dashed bond represents a double bond or a single bond; U, Y, X, R 1 , Ar, n, x and y are as defined in the specification.

  该发明涉及将环戊烷庚烯酸、2-硫代氨基羧酸酯和氨基羧酸酯用作治疗剂，例如用作眼压降低剂。根据该发明使用的化合物由以下式I表示：其中波浪线段表示α或β构型；虚线键表示双键或单键；U、Y、X、R1、Ar、n、x和y如规范中所定义。
• Cyclopentane heptan(ENE)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents
  申请人：——

  公开号：US20020198249A1

  公开（公告）日：2002-12-26

  The invention relates to the use of derivatives of F-type prostaglandins as ocular hypotensives. The PGF derivatives used in accordance with the invention are represented by the following formula I: 1 wherein wavy line attachments indicate either the alpha (&agr;) or beta (&bgr;) configuration; dashed bonds represent a double bond, or a single bond, R is a substituted heteroaryl radical, R 1 is hydrogen or a lower alkyl radical having up to six carbon atoms, X is selected from the group consisting of —OR 1 , —N(R 1 ) 2 , R 1 is hydrogen or a lower alkyl radical having up to six carbon atoms, X is selected from the group consisting of —OR 1 , —N(R 1 ) 2 and —N(R 5 )SO 2 R 6 , wherein R 5 represents hydrogen or CH 2 OR 6 and R 6 represents hydrogen or a lower alkyl radical having up to six carbon atoms and halogen substituted derivatives of said lower alkyl radical, e.g. a fluoro substituted lower alkyl radical; Y is ═O or represents 2 hydrogen radicals. Certain of the compounds represented by Formula I comprise another aspect of the present invention.

  本发明涉及将F型前列腺素衍生物用作眼压降低剂。根据本发明使用的PGF衍生物由以下公式I表示：其中波浪线附件表示α（&agr;）或β（&bgr;）构型；虚线键代表双键或单键，R是取代的杂环芳基基团，R1是氢或具有最多六个碳原子的较低烷基基团，X选自以下组：—OR1，—N（R1）2，R1是氢或具有最多六个碳原子的较低烷基基团，X选自以下组：—OR1，—N（R1）2和—N（R5）SO2R6，其中R5表示氢或CH2OR6，R6表示氢或具有最多六个碳原子的较低烷基基团和所述较低烷基基团的卤素取代衍生物，例如氟取代的较低烷基基团；Y为═O或表示2个氢基团。公式I表示的某些化合物是本发明的另一个方面。
• [EN] NON-ACIDIC CYCLOPENTANE HEPTANOIC ACID, 2-CYCLOALKYL OR ARYLALKYL DERIVATIVES AS THERAPEUTIC AGENTS<br/>[FR] DERIVES NON-ACIDES DE 2-CYCLOALKYLE OU D'ARYLALKYLE D'ACIDE HEPTANOIQUE DE CYCLOPENTANE EN TANT QU'AGENTS THERAPEUTIQUES
  申请人：ALLERGAN, INC.

  公开号：WO1994006433A1

  公开（公告）日：1994-03-31

  (EN) The present invention provides cyclopentane heptanoic acid, 2-cycloalkyl or arylalkyl derivatives, substituted in the 1-position with halo, methyl, hydroxyl, nitro, amino, amido, azido, oxime, cyano, thiol, ether or thioether groups, e.g., a 1-OH cyclopentane heptanoic acid, 2-(cycloalkyl or arylalkyl) derivatives. The cyclopentane heptanoic acid, 2-(cycloalkyl or arylalkyl) derivatives of the present invention are potent ocular hypotensives, and are particularly suitable for the management of glaucoma. Moreover, the cyclopentane heptanoic, 2-(cycloalkyl or arylalkyl) derivatives of this invention are smooth muscle relaxants with broad application in systemic hypertensive and pulmonary diseases; smooth muscle relaxants with application in gastrointestinal disease, reproduction, fertility, incontinence, shock, etc.(FR) L'invention concerne des dérivés de 2-cycloalkyle ou d'arylalkyle d'acide heptanoïque de cyclopentane, substitués dans la position 1 par des groupes halo, méthyle, hydroxyle, nitro, amino, amido, azido, oxime, cyano, thiol, éther ou thioéther, par exemple, des dérivés de 2-cycloalkyle ou arylalkyle d'un acide heptanoïque de cyclopentane 1-OH. Ces dérivés sont des hypotenseurs oculaires puissants et s'adressent particulièrement au traitement du glaucome. De plus, lesdits dérivés sont des dépresseurs des fibres lisses particulièrement efficaces dans les maladies systémiques hypertensives et pulmonaires, des dépresseurs des fibres lisses efficaces dans le traitement de maladies gastro-intestinales, de dysfonctionnements de la reproduction ou de la fertilité, de l'incontinence, des chocs, etc.

  本发明提供了环戊烷庚酸、2-环烷基或芳基烷基衍生物，在1位被卤素、甲基、羟基、硝基、氨基、酰胺基、偶氮基、肟基、氰基、硫醇基、醚或硫醚基等取代的化合物，例如，1-OH环戊烷庚酸、2-(环烷基或芳基烷基)衍生物。本发明的环戊烷庚酸、2-(环烷基或芳基烷基)衍生物是有效的眼压降低剂，特别适用于青光眼的治疗。此外，本发明的环戊烷庚酸、2-(环烷基或芳基烷基)衍生物是平滑肌松弛剂，广泛适用于系统性高血压和肺部疾病的治疗；在胃肠疾病、生殖、生育、失禁、休克等方面也具有应用。
• [EN] NON-ACIDIC CYCLOPENTANE HEPTANOIC ACID, 2-CYCLOALKYL OR ARYLALKYL DERIVATIVES AS THERAPEUTIC AGENTS<br/>[FR] COMPOSES NON ACIDES D'ACIDE CYCLOPENTYLE HEPTANOIQUE ET LEURS DERIVES 2-CYCLOALKYLE OU ARYLALKYLE UTILISABLES COMME AGENTS THERAPEUTIQUES
  申请人：VISION PHARMACEUTICALS L.P.

  公开号：WO1997030710A1

  公开（公告）日：1997-08-28

  (EN) The present invention provides cyclopentane heptanoic acid, 2-cycloalkyl or arylalkyl compounds, which may be substituted in the 1-position with amino, amido, ether or ester groups, e.g., a 1-OH cyclopentane heptanoic acid, 2-(cycloalkyl or arylalkyl) compound. The cyclopentane heptanoic acid, 2-(cycloalkyl or arylalkyl) compounds of the present invention are potent ocular hypotensives, and are particularly suitable for the management of glaucoma. Moreover, the cyclopentane heptanoic, 2-(cycloalkyl or arylalkyl) compounds of this invention are smooth muscle relaxants with broad application in systemic hypertensive and pulmonary diseases; smooth muscle relaxants with application in gastrointestinal disease, reproduction, fertility, incontinence, shock, etc.(FR) La présente invention concerne des composés acide cyclopentyle heptanoïque et 2-cycloalkyle ou arylalkyle qui peuvent être substitués en position 1 par des groupes amino, amide, éther ou ester, par exemple un composé acide 1-OH cyclopentyle heptanoïque 2-(cycloalkyle ou arylalkyle). Les composés acide 1-OH cyclopentyle heptanoïque 2-(cycloalkyle ou arylalkyle) de la présente invention sont de puissants hypotenseurs ophtalmologiques et conviennent particulièrement pour le traitement d'entretien du glaucome. En outre, les composés acide 1-OH cyclopentyle heptanoïque 2-(cycloalkyle ou arylalkyle) de la présente invention sont non seulement des myorelaxants des muscles lisses trouvant de nombreuses applications dans le cas des affectations systémiques d'hypertension et pulmonaires, mais également des myorelaxants des muscles lisses trouvant de nombreuses applications dans le cas des affections gastro-intestinales, et pour traiter les problèmes de reproduction, de fécondité, d'incontinence, de choc, etc.

  本发明提供了环戊烷庚酸、2-环烷基或芳基烷基化合物，可以在1位被氨基、酰胺、醚或酯基团取代，例如1-OH环戊烷庚酸、2-(环烷基或芳基烷基)化合物。本发明的环戊烷庚酸、2-(环烷基或芳基烷基)化合物是有效的眼压降低剂，特别适用于青光眼的治疗。此外，本发明的环戊烷庚酸、2-(环烷基或芳基烷基)化合物是平滑肌松弛剂，在系统性高血压和肺部疾病中具有广泛应用，也可用于消化系统疾病、生殖、生育能力、失禁、休克等领域。
• 医薬としての非酸性シクロペンタンヘプタン酸，２−シクロアルキルまたはアリールアルキル誘導体
  申请人：アラーガン、インコーポレイテッド

  公开号：JP2004346080A

  公开（公告）日：2004-12-09

  PROBLEM TO BE SOLVED: To obtain an ocular hypotensive and a smooth muscle relaxant.

  SOLUTION: This invention relates to a cyclopentane heptanoic acid substituted in the 1-position with a halo, methyl, hydroxyl, nitro, amino, amido, azido, oxime, cyano, thiol, ether or thioether group, e.g., 1-OH cyclopentane heptanoic acid, 2-cycloalkyl or arylalkyl derivatives. The cyclopentane heptanoic acid, 2-(cycloalkyl or arylalkyl) derivatives of this invention are potent ocular hypotensives, and are particularly suitable for the management of glaucoma. Moreover, the cyclopentane heptanoic, 2-(cycloalkyl or arylalkyl) derivatives of this invention are smooth muscle relaxants with broad application in systemic hypertensive and pulmonary diseases; smooth muscle relaxants applicable to gastrointestinal disease, reproduction, fertility, incontinence, shock, or the like.

  COPYRIGHT: (C)2005,JPO&NCIPI

  要解决的问题：获得一种眼压降低剂和平滑肌松弛剂。 解决方案：本发明涉及一种在1位被卤素、甲基、羟基、硝基、氨基、酰胺基、偶氮基、肟基、腈基、硫醇基、醚基或硫醚基取代的环戊烷庚酸，例如1-羟基环戊烷庚酸、2-环烷基或芳基烷基衍生物。本发明的环戊烷庚酸、2-(环烷基或芳基烷基)衍生物是有效的眼压降低剂，特别适用于青光眼的治疗。此外，本发明的环戊烷庚酸、2-(环烷基或芳基烷基)衍生物是平滑肌松弛剂，广泛适用于系统性高血压和肺部疾病；平滑肌松弛剂适用于胃肠疾病、生殖、生育能力、失禁、休克等。 版权：(C)2005，JPO&NCIPI