8-氟-4H-噻吩并[3,2-c]色烯-2-羧酸 | 105799-81-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 8-氟-4H-噻吩并[3,2-c]色烯-2-羧酸
• 英文名称: 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
• CAS: 105799-81-3
• 化学式: C₁₂H₇FO₃S
• mdl: MFCD08447067
• 分子量: 250.25
• InChiKey: SDZKEGWEXJYSLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  6-氟-4-二氢色原酮 在 sodium ethanolate 、 sodium hydroxide 、 三氯氧磷 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 8-氟-4H-噻吩并[3,2-c]色烯-2-羧酸
  参考文献：
  名称：

  4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienochromenes inhibitors of Notum Pectinacetylesterase are described. We developed SAR on three series based on carbon, oxygen and sulfur replacement of the 5-position. In each series, highly potent Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.01.038

文献信息

• BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Do Steven

  公开号：US20090247567A1

  公开（公告）日：2009-10-01

  Benzopyran and benzoxepin compounds of Formulas I and II, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formulas I and II for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Benzopyran和benzoxepin的化合物I和II的分子式，包括其立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和药学上可接受的盐，可用于抑制脂质激酶，包括p110 alpha和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用分子式I和II的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• Tricyclic thieno derivatives, their preparation and pharmaceutical compositions containing them
  申请人：Zyma SA

  公开号：EP0193493A2

  公开（公告）日：1986-09-03

  Pharmaceutical preparations containing compounds of formula I wherein ring A is unsubstituted or substituted, R1 and Rz, independently of one another, each represents hydrogen, lower alkyl, aryl or heteroaryl, or R, and R2 together represent lower alkylene optionally interrupted by oxygen, sulfur or optionally substituted nitrogen, Y is methylene, methylene mono- or disubstituted by lower alkyl, oxygen, sulfur, sulfinyl or sulfonyl, X represents a bivalent radical -S-C[-B-(Z)n]=CH- the sulfur group S of which is bonded directly to the a- or to the β-position of the bicyclic ring system, B denotes a direct bond, alkylene or alkenylene; n is 1 or, in case B is alkylene or alkenylene, may be also 2 or 3; and Z represents free or functionally modified carboxy, masked carboxy that can be cleaved under physiological conditions, free or functionally modified formyl, acyl, free or functionally modified sulfo, free, etherified or esterified hydroxy, free, etherified or oxidised etherified mercapto, unsubstituted or substituted amino, ammonio, nitro or halogen; and novel compounds of formula I are disclosed. The latter are prepared by methods known per se.

  含有式 I 化合物的药物制剂 其中环 A 是未取代的或取代的，R1 和 Rz 各自独立地代表氢、低级烷基、芳基或杂芳基，或 R 和 R2 一起代表任选被氧、硫或任选取代的氮打断的低级亚烷基，Y 是亚甲基、X 代表二价基 -S-C[-B-(Z)n]=CH-，其中的硫基 S 直接键合到双环系统的 a 位或 β 位，B 表示直接键、亚烷基或烯基；n 是 1，如果 B 是亚烷基或烯基，也可以是 2 或 3；以及 Z 代表游离的或功能修饰的羧基、在生理条件下可裂解的掩蔽羧基、游离的或功能修饰的甲酰基、酰基、游离的或功能修饰的磺酰基、游离的、醚化的或酯化的羟基、游离的、醚化的或氧化的醚化巯基、未取代的或取代的氨基、氨基、硝基或卤素。后者是通过本身已知的方法制备的。
• EP2276767B1
  申请人：——

  公开号：EP2276767B1

  公开（公告）日：2014-05-07
• 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE
  申请人：Lexicon Pharmaceuticals, Inc.

  公开号：EP2714675B1

  公开（公告）日：2019-01-02
• US4797414A
  申请人：——

  公开号：US4797414A

  公开（公告）日：1989-01-10