5-(3-chloro-benzo[b]thiophen-2-yl)-pent-1-yn-3-ol | 736141-41-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 5-(3-chloro-benzo[b]thiophen-2-yl)-pent-1-yn-3-ol
• 英文别名: 5-(3-chloro-1-benzothiophen-2-yl)pent-1-yn-3-ol
• CAS: 736141-41-6
• 化学式: C₁₃H₁₁ClOS
• 分子量: 250.749
• InChiKey: PSZIYSPXHSKNBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(3-chloro-benzo[b]thiophen-2-yl)-pent-1-yn-3-ol 在 4-二甲氨基吡啶 、 Schwartz's reagent 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 tert-butyl-{(E)-1-[2-(3-chloro-benzo[b]thiophen-2-yl)-ethyl]-3-iodo-allyloxy}-dimethyl-silane
  参考文献：
  名称：

  Methods of treating soft tissue defects

  摘要：

  该规范披露了治疗个体软组织缺陷的组合物和方法。

  公开号：

  US09334262B2
• 作为产物：
  描述：

  3-氯苯并(B)噻吩-2-羧酸 在 Wilkinson's catalyst 、 lithium aluminium tetrahydride 、 锂硼氢 、 四丙基高钌酸铵 、 草酰氯 、 氢气 、 二甲基亚砜 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 甲苯 为溶剂， -78.0~20.0 ℃ 、101.33 kPa 条件下， 反应 28.0h， 生成 5-(3-chloro-benzo[b]thiophen-2-yl)-pent-1-yn-3-ol
  参考文献：
  名称：

  Methods of treating soft tissue defects

  摘要：

  该规范披露了治疗个体软组织缺陷的组合物和方法。

  公开号：

  US09334262B2

文献信息

• 2,3,4-Substituted cyclopentanones as therapeutic agents
  申请人：Donde Yariv

  公开号：US20060106088A1

  公开（公告）日：2006-05-18

  Disclosed herein are compounds comprising or a pharmaceutically acceptable salt or a prodrug thereof, wherein a dashed line represents the presence or absence of a bond; Y is a carboxylic acid, sulfonic acid, or phosphonic acid functional group; or an amide or ester thereof comprising from 0 to 12 carbon atoms; or Y is hydroxymethyl or an ether thereof comprising from 0 to 12 carbon atoms; or Y is a tetrazolyl functional group; A is —(CH 2 ) 6 —, cis —CH 2 —CH═CH—(CH 2 ) 3 —, or —CH 2 —C≡C—(CH 2 ) 3 — wherein 1 or 2 carbons may be substituted with S or O; B is hydrogen, C 1-6 hydrocarbyl, CN, CO 2 H, or —(CH 2 ) m X(CH 2 ) p H, wherein m is at least 1 and the sum of m and p is from 1 to 5; X is S or O; J is H, CH 3 , or CF 3 ; D is a covalent bond, CH 2 , O, or S; and E is an aromatic heterobicyclic ring system which may have substituents comprising up to 6 non-hydrogen atoms each. Methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了包含以下化合物或其药用可接受盐或前药的化合物，其中虚线代表键的存在或不存在；Y是羧酸、磺酸或膦酸官能团；或者是由0到12个碳原子组成的酰胺或酯；或者Y是羟甲基或由0到12个碳原子组成的醚；或者Y是四唑基官能团；A是—(CH2)6—、顺式—CH2—CH═CH—(CH2)3—或—CH2—C≡C—(CH2)3—其中1或2个碳原子可以被S或O取代；B是氢、C1-6烃基、CN、CO2H或—(CH2)mX(CH2)pH，其中m至少为1，m和p的总和为1到5；X是S或O；J是H、CH3或CF3；D是共价键、CH2、O或S；E是含有最多6个非氢原子的取代基的芳香杂双环环系统。还披露了相关的方法、组合物和药物。
• 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure
  申请人：Allergan, Inc.

  公开号：US20040235958A1

  公开（公告）日：2004-11-25

  The present invention provides a method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound represented by the general formula I; 1 wherein the dashed line indicates the presence or absence of a bond, the hatched wedge indicates the &agr; (down) configuration, and the solid triangle indicates the &bgr; (up) configuration; B is a single, double, or triple covalent bond; n is 0-6; X is CH 2 , S or O; Y is any pharmaceutically acceptable salt of CO 2 H, or CO 2 R, CONR 2 , CONHCH 2 CH 2 OH, CON(CH 2 CH 2 OH) 2 ,CH 2 OR, P(O)(OR) 2 , CONRSO 2 R, SONR 2 , or 2 R is H, C 1-6 alkyl or C 2-6 alkenyl; R 2 and R 3 are C 1-6 linear alkyl which may be the same or different, and may be bonded to each other such that they form a ring incorporating the carbon to which they are commonly attached; R 4 is hydrogen, R, C(═O)R, or any group that is easily removed under physiological conditions such that R 4 is effectively hydrogen; R 5 is hydrogen or R; R 6 is i) hydrogen; ii) a linear or branched hydrocarbon containing between 1 and 8 carbon atoms, which may contain one or more double or triple bonds, or oxygen or halogen derivatives of said hydrocarbon, wherein 1-3 carbon or hydrogen atoms may be substituted by O or a halogen; or iii) aryloxy, heteroaryloxy, C 3-8 cycloalkyloxy, C 3-8 cycloalkyl, C 6-10 aryl or C 3-10 heteroaryl, wherein one or more carbons is substituted with N, O, or S; and which may contain one or more substituents selected from the group consisting of halogen, trihalomethyl, cyano, nitro, amino, hydroxy, C 6-10 aryl, C 3-10 heteroaryl, aryloxy, heteroaryloxy, C 1-6 alkyl, OR, SR, and SO 2 R. Some of the compounds of the present invention and some of their methods of preparation are also novel an nonobvious.

  本发明提供了一种治疗眼压增高或青光眼的方法，包括向患有眼压增高或青光眼的动物施用一定治疗有效量的一种由通式I表示的化合物； 1 其中虚线表示键的存在或不存在，斜线表示α（向下）构型，实心三角形表示β（向上）构型； B是单键、双键或三键； n为0-6； X为CH 2 、S或O； Y为CO 2 H、CO 2 R、CONR 2 、CONHCH 2 CH 2 OH、CON(NHCH 2 CH 2 OH) 2 、CH 2 OR、P(O)(OR) 2 、CONRSO 2 R、SONR 2 或 2 R为H、C 1-6 烷基或C 2-6 烯基； R 2 和R 3 为C 1-6 线性烷基，可以相同也可以不同，并且可以相互连接以形成包含它们通常连接的碳的环； R 4 为氢、R、C(═O)R或在生理条件下易于去除的任何基团，使得R 4 有效地为氢； R 5 为氢或R； R 6 为 i) 氢； ii) 包含1至8个碳原子的线性或支链烃基，可以含有一个或多个双键或三键，或者所述烃基的氧或卤素衍生物，其中1-3个碳或氢原子可以被O或卤素取代；或 iii) 芳氧基、杂芳氧基、C 3-8 环烷氧基、C 3-8 环烷基、C 6-10 芳基或C 3-10 杂芳基，其中一个或多个碳被N、O或S取代；并且可以含有从卤素、三卤甲基、氰基、硝基、氨基、羟基、C 6-10 芳基、C 3-10 杂芳基、芳氧基、杂芳氧基、C 1-6 烷基、OR、SR和SO 2 R组成的取代基中选择的一个或多个取代基。 本发明的一些化合物及其制备方法也是新颖且非显而易见的。
• 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE
  申请人：Allergan, Inc.

  公开号：US20040157901A1

  公开（公告）日：2004-08-12

  The present invention provides a method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound represented by the general formula I; 1 wherein the dashed line indicates the presence or absence of a bond, the hatched wedge indicates the &agr; (down) configuration, and the solid triangle indicates the &bgr; (up) configuration; B is a single, double, or triple covalent bond; n is 0-6; X is CH 2 , S or O; Y is any pharmaceutically acceptable salt of CO 2 H, or CO 2 R, CONR 2 , NHCH 2 CH 2 OH, N(CH 2 CH 2 OH) 2 , CH 2 OR, P(O)(OR) 2 , CONRSO 2 R, SONR 2 , or 2 R is H, C 1-6 alkyl or C 2-6 alkenyl; R 2 and R 3 are C 1-6 linear alkyl which may be the same or different, and may be bonded to each other such that they form a ring incorporating the carbon to which they are commonly attached; R 4 is hydrogen, R, C(═O)R, or any group that is easily removed under physiological conditions such that R 4 is effectively hydrogen; R 5 is hydrogen or R; R 6 is iv) hydrogen; v) a linear or branched hydrocarbon containing between 1 and 8 carbon atoms, which may contain one or more double or triple bonds, or oxygen or halogen derivatives of said hydrocarbon, wherein 1-3 carbon or hydrogen atoms may be substituted by O or a halogen; or vi) aryloxy, heteroaryloxy, C 3-8 cycloalkyloxy, C 3-8 cycloalkyl, C 6-10 aryl or C 3-10 heteroaryl, wherein one or more carbons is substituted with N, O, or S; and which may contain one or more substituents selected from the group consisting of halogen, trihalomethyl, cyano, nitro, amino, hydroxy, C 6-10 aryl, C 3-10 heteroaryl, aryloxy, heteroaryloxy, C 1-6 alkyl, OR, SR, and SO 2 R. Some of the compounds of the present invention and some of their methods of preparation are also novel an nonobvious.

  本发明提供了一种治疗眼压增高或青光眼的方法，包括向患有眼压增高或青光眼的动物施用一定治疗剂量的一种由通用式I表示的化合物； 1 其中虚线表示键的存在或不存在，斜线表示α（向下）构型，实心三角形表示β（向上）构型； B是单键，双键或三键； n为0-6； X为CH 2 ，S或O； Y为CO 2 H的任何药用可接受盐，或CO 2 R，CONR 2 ，NHCH 2 CH 2 OH，N(CH 2 CH 2 OH) 2 ，CH 2 OR，P(O)(OR) 2 ，CONRSO 2 R，SONR 2 ，或 2 R为H，C 1-6 烷基或C 2-6 烯基； R 2 和R 3 为C 1-6 线性烷基，可以相同也可以不同，并且可以相互连接以形成包含它们通常连接的碳的环； R 4 为氢，R，C(═O)R，或在生理条件下易于去除的任何基团，使得R 4 有效地为氢； R 5 为氢或R； R 6 为 iv）氢； v）含有1至8个碳原子的线性或支链烃，可以含有一个或多个双键或三键，或所述烃的氧或卤素衍生物，其中1-3个碳或氢原子可以被O或卤素取代；或 vi）芳氧基，杂芳氧基，C 3-8 环烷氧基，C 3-8 环烷基，C 6-10 芳基或C 3-10 杂芳基，其中一个或多个碳被N，O或S取代；并且可以含有从卤素，三卤甲基，氰基，硝基，氨基，羟基，C 6-10 芳基，C 3-10 杂芳基，芳氧基，杂芳氧基，C 1-6 烷基，OR，SR和SO 2 R组成的取代基中选择的一个或多个取代基。 本发明的一些化合物及其制备方法也是新颖且非显而易见的。
• 2,3,4-substituted cyclopentanones as therapeutic agents
  申请人：Donde Yariv

  公开号：US20060111430A1

  公开（公告）日：2006-05-25

  Disclosed herein are compounds comprising or a pharmaceutically acceptable salt or a prodrug thereof; wherein Y, A, B, J, and E are further described. Methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了包含Y、A、B、J和E的化合物，或其药学上可接受的盐或前药；还进一步描述了相关的方法、组合物和药物。
• Treatment of inflammatory bowel disease
  申请人：Donde Yariv

  公开号：US20050164992A1

  公开（公告）日：2005-07-28

  Disclosed herein is a method comprising administering a compound to a mammal suffering from an inflammatory bowel disease for the treatment of said disease, said compound having a structure according to Formula I wherein X, Y, B, R 2 , R 3 , R 4 , R 5 , R 6 and n have the meanings found herein.

  本文揭示了一种方法，包括向患有炎症性肠病的哺乳动物施用一种化合物以治疗该疾病，所述化合物具有根据式I的结构 其中X、Y、B、R2、R3、R4、R5、R6和n具有本文中所述的含义。