3-(chlorosulfonyl)phenyl benzoate | 55551-65-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 3-(chlorosulfonyl)phenyl benzoate
• 英文别名: 3-BzOPhSO2Cl；3-benzoyloxybenzenesulphonyl chloride；3-benzoyloxybenzenesulfonyl chloride；(3-chlorosulfonylphenyl) benzoate
• CAS: 55551-65-0
• 化学式: C₁₃H₉ClO₄S
• 分子量: 296.731
• InChiKey: ABQVYTDLTOHQKU-UHFFFAOYSA-N

物化性质

• 沸点：
  439.0±28.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(chlorosulfonyl)phenyl benzoate 生成 (3-sulfanylphenyl) benzoate
  参考文献：
  名称：

  KATO, SHOICHI;MASUI, AKIO;ISHIDA, SHUICHI, J. PESTIC. SCI., 13,(1988) N 1, 107-115

  摘要：

  DOI：
• 作为产物：
  描述：

  Sodium;3-benzoyloxybenzenesulfonate 、 五氯化磷 生成 3-(chlorosulfonyl)phenyl benzoate
  参考文献：
  名称：

  KATO, SHOICHI;MASUI, AKIO;ISHIDA, SHUICHI, J. PESTIC. SCI., 13,(1988) N 1, 107-115

  摘要：

  DOI：

文献信息

• ANTI-TUMOR EFFECT POTENTIATOR
  申请人：Fukuoka Masayoshi

  公开号：US20120225838A1

  公开（公告）日：2012-09-06

  There is provided an agent for potentiating the effects of an anti-tumor agent. An anti-tumor effect potentiator containing, as an active ingredient, a uracil compound represented by the following formula (I) or a pharmaceutically acceptable salt thereof: wherein X represents a C 1-5 alkylene group and one of methylene groups constituting the alkylene group is optionally substituted with an oxygen atom; R 1 represents a hydrogen atom or a C 1-6 alkyl group; R 2 represents a hydrogen atom or a halogen atom; and R 3 represents a C 1-6 alkyl group, a C 2-6 alkenyl group, a C 3-6 cycloalkyl group, a (C 3-6 cycloalkyl) C 1-6 alkyl group, a halogeno-C 1-6 alkyl group or a saturated heterocyclic group.

  提供了一种用于增强抗肿瘤药物效果的药剂。 一种抗肿瘤效应增强剂，其包含以下式(I)所代表的尿嘧啶化合物或其药用可接受的盐作为活性成分： 其中X代表一个C1-5烷基基团，构成该烷基基团的亚甲基基团之一可以选择性地被氧原子取代； R1代表氢原子或一个C1-6烷基基团；R2代表氢原子或卤原子；R3代表一个C1-6烷基基团，一个C2-6烯基基团，一个C3-6环烷基基团，一个(C3-6环烷基)C1-6烷基基团，一个卤代C1-6烷基基团或一个饱和杂环基团。
• Discovery of a Novel Class of Potent Human Deoxyuridine Triphosphatase Inhibitors Remarkably Enhancing the Antitumor Activity of Thymidylate Synthase Inhibitors
  作者：Seiji Miyahara、Hitoshi Miyakoshi、Tatsushi Yokogawa、Khoon Tee Chong、Junko Taguchi、Toshiharu Muto、Kanji Endoh、Wakako Yano、Takeshi Wakasa、Hiroyuki Ueno、Yayoi Takao、Akio, Fujioka、Akihiro Hashimoto、Kenjirou Itou、Keisuke Yamamura、Makoto Nomura、Hideko Nagasawa、Satoshi Shuto、Masayoshi Fukuoka

  DOI：10.1021/jm201628y

  日期：2012.4.12

  (dUTPase) has been identified as a promising approach to enhance the efficacy of 5-fluorouracil (5-FU)-based chemotherapy. This study describes the development of a novel class of dUTPase inhibitors based on the structure–activity relationship (SAR) studies of uracil derivatives. Starting from the weak inhibitor 7 (IC50 = 100 μM), we developed compound 26, which is the most potent human dUTPase inhibitor

  人脱氧尿苷三磷酸酶（dUTPase）的抑制已被确认为提高基于5-氟尿嘧啶（5-FU）的化疗效果的一种有前途的方法。这项研究基于尿嘧啶衍生物的结构-活性关系（SAR）研究，描述了一类新型的dUTPase抑制剂的开发。从弱抑制剂7（IC 50 = 100μM）开始，我们开发了化合物26，它是迄今为止报道的最有效的人dUTPase抑制剂（IC 50 = 0.021μM）。化合物26不仅在体外显着增强了5-氟-2'-脱氧尿苷（FdUrd）对HeLa S3细胞的生长抑制活性（EC 50= 0.075μM），但在连续输注5-FU的情况下，对小鼠MX-1乳腺癌异种移植模型也显示出强大的抗肿瘤活性。这是人类dUTPase抑制剂增强TS抑制剂抗肿瘤活性的第一个体内证据。基于这些发现，可以得出结论，化合物26是用于临床开发的有希望的候选物。
• NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY
  申请人：Fukuoka Masayoshi

  公开号：US20110082163A1

  公开（公告）日：2011-04-07

  Provided is a uracil compound or a salt thereof, which has potent human dUTPase inhibitory activity and is useful as, for example, an antitumor drug. A uracil compound represented by the general formula (I) or a salt thereof: wherein n represents an integer of 1 to 3; X represents a bond, an oxygen atom, a sulfur atom, or the like; Y represents a linear or branched alkylene group having 1 to 8 carbon atoms, or the like; and Z represents —SO 2 NR 1 R 2 or —NR 3 SO 2 —R 4 , wherein R 1 and R 2 each represent an alkyl group having 1 to 6 carbon atoms, an aralkyl group which is optionally substituted, or the like; R 3 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R 4 represents an aromatic hydrocarbon group, an unsaturated heterocyclic group, or the like.

  提供了一种尿嘧啶化合物或其盐，具有强效的人类dUTPase抑制活性，可用作例如抗肿瘤药物。一种由通式（I）表示的尿嘧啶化合物或其盐：其中n表示1至3的整数；X表示键，氧原子，硫原子或类似物；Y表示具有1至8个碳原子的线性或支链烷基或类似物；Z表示—SO2NR1R2或—NR3SO2—R4，其中R1和R2分别表示具有1至6个碳原子的烷基，可选择取代的芳基烷基或类似物；R3表示具有1至6个碳原子的烷基或类似物；R4表示芳香族碳氢基，不饱和杂环基或类似物。
• Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity
  申请人：Fukuoka Masayoshi

  公开号：US08530490B2

  公开（公告）日：2013-09-10

  Provided is a uracil compound or a salt thereof, which has potent human dUTPase inhibitory activity and is useful as, for example, an antitumor drug. A uracil compound represented by the general formula (I) or a salt thereof: wherein n represents an integer of 1 to 3; X represents a bond, an oxygen atom, a sulfur atom, or the like; Y represents a linear or branched alkylene group having 1 to 8 carbon atoms, or the like; and Z represents —SO2NR1R2 or —NR3SO2—R4, wherein R1 and R2 each represent an alkyl group having 1 to 6 carbon atoms, an aralkyl group which is optionally substituted, or the like; R3 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R4 represents an aromatic hydrocarbon group, an unsaturated heterocyclic group, or the like.

  提供一种尿嘧啶化合物或其盐，具有强大的人类dUTPase抑制活性，可用作抗肿瘤药物等。该尿嘧啶化合物由通式(I)表示，或其盐：其中n表示1至3的整数；X表示键合，氧原子，硫原子或类似物；Y表示具有1至8个碳原子的线性或支链烷基或类似物；Z表示-SO2NR1R2或-NR3SO2-R4，其中R1和R2各自表示具有1至6个碳原子的烷基，可选地取代的芳基烷基或类似物；R3表示具有1至6个碳原子的烷基或类似物；R4表示芳香族碳氢基，不饱和杂环基或类似物。
• Insecticidal compounds
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0356029A2

  公开（公告）日：1990-02-28

  The invention provides insecticidally active compounds of formula: wherein X is N or CH; Ra is the group (R1)(R2)NS(O)n- wherein R1 and R2 are independently selected from H, alkyl, haloalkyl, alkoxy, alkoxyalkyl, formyl, alkanoyl, alkenyl, alkynyl, optionally substituted cycloalkyl, optionally substituted cycloalkylmethyl, optionally substituted benzyl and optionally substituted phenyl, and n is 0, 1 or 2; Rb is the group -OS02R3 wherein R3 is alkyl optionally substituted by an optionally substituted phenyl group, haloalkyl, alkenyl optionally substituted by an optionally substituted phenyl group, optionally substituted aryl or N(R4)(R5), wherein R4 and R5 are independently selected from H and alkyl; and wherein the groups Ra and Rb occupy either a 1,3 configuration relative to each other when X is CH, or a 2.4 or 2,6 configuration relative to X when X is N. The invention provides insecticidal compositions comprising these compounds and methods of their use in controlling insects and also provides processes and intermediates for preparing the compounds.

  本发明提供了具有杀虫活性的式化合物： 其中X为N或CH；Ra为基团(R1)(R2)NS(O)n- 其中R1和R2独立地选自H、烷基、卤代烷基、烷氧基、烷氧基烷基、甲酰基、烷酰基、烯基、炔基、任选取代的环烷基、任选取代的环烷基甲基、任选取代的苄基和任选取代的苯基，且n为0、1或2；Rb 是基团-OS02R3，其中 R3 是任选被任选取代的苯基取代的烷基、卤代烷基、任选被任选取代的苯基取代的烯基、任选取代的芳基或 N(R4)(R5)，其中 R4 和 R5 独立地选自 H 和烷基；当 X 为 CH 时，基团 Ra 和 Rb 相对于彼此占据 1,3 的构型，或相对于彼此占据 2.本发明提供了包含这些化合物的杀虫组合物及其用于防治昆虫的方法，还提供了制备这些化合物的工艺和中间体。