8-benzenesulfonylamino-octanoic acid | 123469-54-5

• 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: 8-benzenesulfonylamino-octanoic acid
• 英文别名: 8-Benzolsulfonylamino-octansaeure；8-(benzenesulphonamido)octanoic acid；Octanoic acid, 8-[(phenylsulfonyl)amino]-；8-(benzenesulfonamido)octanoic acid
• CAS: 123469-54-5
• 化学式: C₁₄H₂₁NO₄S
• 分子量: 299.391
• InChiKey: VKNJBICPCNOEJD-UHFFFAOYSA-N

物化性质

• 沸点：
  485.6±47.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-methoxycarbonylamino-octanoic acid methyl ester 在 barium dihydroxide 作用下， 生成 8-benzenesulfonylamino-octanoic acid
  参考文献：
  名称：

  Treibs; Hauptmann, Chemische Berichte, 1956, vol. 89, p. 117,120

  摘要：

  DOI：

文献信息

• FTIR spectral study of intramolecular hydrogen bonding in thromboxane A2 receptor antagonist S-145 and related compounds. 3. Conformation and activity of S-145 analogs
  作者：Mamoru Takasuka、Masumi Yamakawa、Mitsuaki Ohtani

  DOI：10.1021/jm00110a020

  日期：1991.6

  heptenoic acid, its chain analogues HO2C(CH2)nNHSO2Ph (n = 3-8, 10, and 11) 1-8, and (5Z)-9-(phenylsulfonyl) aminonon-5-enoic acid (9) were synthesized in order to elucidate the dependence of the conformation in solution and of the pharmacological activity on the side-chain length. Their FTIR spectra were measured in dilute CCl4 solution. For these compounds, intramolecular hydrogen bonds similar to those

  S-145，（+/-）-（5Z）-7- [3-endo-[（苯磺酰基）氨基]双环[2.2.1]庚烯酸，其链类似物HO2C（CH2）nNHSO2Ph（n = 3-8 ，10和11）1-8和（5Z）-9-（苯磺酰基）氨基壬基5-烯酸（9）的合成是为了阐明溶液中的构象和药理活性对侧面的依赖性-链长。在稀释的CCl4溶液中测量其FTIR光谱。对于这些化合物，在羧基和磺酰胺基之间发现了类似于对S-145观察到的分子内氢键。分子内氢键分子的百分数（rho）与n值之间也发现线性关系。在体外检查了化合物1-9对兔和大鼠洗涤的血小板（WP）的U-46619抑制浓度（IC50）和胶原蛋白诱导的聚集，和U-46619诱导的大鼠主动脉收缩。尽管rho值与n值成正比，但三种TXA2受体拮抗效力[log（1 / IC50）]与n值呈抛物线相关性。发现6（n = 8）的log（1 / IC50）值与S-145观察到的类
• Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0304271A2

  公开（公告）日：1989-02-22

  The present invention provides the use of a compound of the formula (I): RSO₂NR′BCO₂H      (I) or a salt or ester thereof, wherein R is a phenyl, furan or thiophene ring optionally substituted by one or more substituents which are the same or different and are chosen from halogen, nitro, cyano, trifluoromethyl, C₁₋₄alkyl and C₁₋₄alkoxy; R′ is hydrogen or C₁₋₄alkyl; and B is an acyclic hydrocarbon group having 4 to 11 linear carbon atoms, any one or more of the linear carbon atoms of which are optionally substituted by one or two C₁₋₃alkyl groups; in the preparation of a medicament for the treatment of thromboxane mediated diseases. Also provided are novel compounds of the formula (I), compositions containing them and processes for their preparation.

  本发明提供了式 (I) 化合物的用途： RSO₂NR′BCO₂H (I) 或其盐或酯，其中 R 是苯基、呋喃或噻吩环，可任选被一个或多个相同或不同的取代基取代， 这些取代基选自卤素、硝基、氰基、三氟甲基、C₁₋₄烷基和 C₁₋₄烷氧基； R′ 是氢或₁₋₄烷基；以及 B 是具有 4 至 11 个线性碳原子的无环烃基，其中任意一个或多个线性碳原子任选被一个或两个 C₁₋₃烷基取代；用于制备治疗血栓素介导疾病的药物。此外，还提供了式 (I) 的新型化合物、含有这些化合物的组合物及其制备工艺。
• Corrosion inhibiting compositions
  申请人：CIBA-GEIGY AG

  公开号：EP0553962A1

  公开（公告）日：1993-08-04

  A corrosion inhibiting composition comprising: A) 40-90% by weight of a carboxylic acid corrosion inhibitor, or a water-soluble salt thereof, comprising one or more of: A1) a triazine-carboxylic acid of formula I: in which Z is a C₁-C₁₁ alkylene group, R₁ and R₂, independently, are hydrogen or methyl, and R₃ is a group -NR₄R₅ in which R₄ is C₁-C₁₂ alkyl or -Z-COOH in which Z has its previous significance, and R₅ is hydrogen or C₁-C₁₂ alkyl, or a water-soluble salt thereof; A2) a sulphonamidocarboxylic acid of formula II: in which R₆ and R₇, independently, are hydrogen or C₁-C₄ alkyl, and m is an integer ranging from 1 to 10 or a water-soluble salt thereof; and A3) a dicarboxylic acid, or mixture thereof, having the formula III:         HOOC-(CH₂)n-COOH   III in which n is an integer ranging from 4 to 12, or a water-soluble salt thereof; B) 10-60% by weight of one or more aminobenzoic acids having the formula IV: in which R₈ is hydrogen or a group of formula V or VI: or one or more water-soluble salts thereof; C) 0-10% by weight of an alkanolamine of formula VII:         NR₉R₁₀R₁₁   VII in which R₉,R₁₀ and R₁₁, independently, are hydrogen, a linear or branched C₁-C₁₂ alkyl group which is optionally interrupted by an oxygen atom, or R₉,R₁₀ and R₁₁ are a group of formula VIII: where R₁₂ and R₁₃, independently, are hydrogen or C₁-C₁₂ alkyl and p and q, independently, are 0 or an integer ranging from 1 to 10, provided that p and q are not simultaneously 0 and provided that at least one of R₉,R₁₀ and R₁₁ is a group of formula VIII; and D) 0-10% by weight of an alkali metal borate; the percentages by weight being based on the total weight of the corrosion inhibitor composition.

  一种缓蚀组合物，包括 A) 40-90% （按重量计）的羧酸缓蚀剂或其水溶性盐，包括以下一种或多种成分 A1) 式 I 的三嗪羧酸 其中 Z 为 C₁-C₁₁亚烷基，R₁ 和 R₂ 分别为氢或甲基、和 R₃ 是基团-NR₄R₅，其中 R₄ 是 C₁-C₁₂ 烷基或-Z-COOH，其中 Z 具有其先前的意义，和 R₅ 是氢或 C₁-C₁₂ 烷基，或其水溶性盐； A2) 式 II： 其中 R₆ 和 R₇ 分别为氢或 C₁-C₄ 烷基，且 m 为 1 至 10 的整数，或其水溶性盐；以及 A3) 具有式 III 的二羧酸或其混合物： HOOC-(CH₂)n-COOH III 其中 n 为 4 至 12 的整数，或其水溶性盐； B) 10-60%（重量百分比）的一种或多种氨基苯甲酸，其式为 IV： 其中 R₈ 为氢或式 V 或 VI： 或其一种或多种水溶性盐； C)按重量计 0-10%的式 VII 烷醇胺： NR𠢙R₁₀R₁₁ VII 其中 R₉、R₁₀ 和 R₁₁ 分别为氢、任选被氧原子打断的线性或支链 C₁-C₁₂ 烷基，或 R₉、R₁₀ 和 R₁₁ 为式 VIII 的基团： 其中 R₁₂ 和 R₁₃ 分别为氢或 C₁-C₁₂ 烷基，p 和 q 分别为 0 或 1-10 之间的整数、条件是 p 和 q 不同时为 0，且 R₉、R₁₀ 和 R₁₁ 中至少有一个是式 VIII.A.的基团；和 D) 0-10%（按重量计）的碱金属硼酸盐； 重量百分比基于缓蚀剂组合物的总重量。
• Method for administering GLP-1 molecules
  申请人：Emisphere Technologies, Inc.

  公开号：EP2409569A2

  公开（公告）日：2012-01-25

  The invention encompasses formulations that demonstrate the feasibility of oral absorption comprising GLP-1 compounds and specified delivery agents.

  本发明包括能证明口服吸收 GLP-1 化合物和特定给药剂可行性的制剂。
• EP2409569B1
  申请人：——

  公开号：EP2409569B1

  公开（公告）日：2017-08-16