2,1-Benzisothiazole, 1,3-dihydro-1-(1-methylethyl)-, 2,2-dioxide | 189013-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2,1-Benzisothiazole, 1,3-dihydro-1-(1-methylethyl)-, 2,2-dioxide
• 英文别名: 1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide
• CAS: 189013-91-0
• 化学式: C₁₀H₁₃NO₂S
• 分子量: 211.285
• InChiKey: PWXOMSDMYGTQCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,1-Benzisothiazole, 1,3-dihydro-1-(1-methylethyl)-, 2,2-dioxide 在 sodium hydroxide 、 六氯乙烷 、 四丁基溴化铵 作用下， 以 水 、 甲苯 为溶剂， 以47%的产率得到3,3-dichloro-1-isopropyl-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
  参考文献：
  名称：

  6-（二氯亚甲基）环己-2,4-二烯-1-烷基亚胺与胺的反应

  摘要：

  在50％NaOH水溶液和四烷基铵盐的存在下，在相转移催化条件下用六氯乙烷氯化2,1-苯并噻唑啉2,2-二氧化物（苯并sultams），得到3,3-二氯苯并sultams，收率很好。从3,3-二氯吡啶并杜仲中热挤出SO 2生成的氮杂邻二甲苯基二氯衍生物不会进入[4 + 2]环加成反应，但会加成胺形成to。与芳族二胺和氨基酚一起，以良好的产率形成苯并咪唑和苯并恶唑衍生物。

  DOI：

  10.1016/s0040-4020(02)00862-1

文献信息

• UV Photoelectron Spectroscopy Studies of the Products of Thermal Extrusion of Sulfur Dioxide from Benzosultams
  作者：Anna Chrostowska、Françoise Gracian、Jean-Marc Sotiropoulos、Geneviève Pfister-Guillouzo、Krzysztof Wojciechowski

  DOI：10.1002/(sici)1099-0690(200001)2000:2<313::aid-ejoc313>3.0.co;2-i

  日期：2000.1

  An aza-ortho-xylylene system is produced by thermal degradation of N-alkylbenzosultam, which can be directly studied by coupling the system to a UV/photoelectron spectrometer. These thermodynamically unstable xylylene derivatives rearrange to give aldimine by a [1,5] hydrogen shift.

  氮杂邻二甲苯系统是由 N-烷基苯并磺胺热降解产生的，可以通过将该系统耦合到紫外/光电子光谱仪来直接研究。这些热力学不稳定的二甲苯衍生物通过 [1,5] 氢位移重排生成醛亚胺。
• Synthesis and reactions of 3-alkylsulfanyl-1,3-dihydro-2,1-benzisothiazole 2,2-dioxides
  作者：Helena Modrzejewska、Krzysztof Wojciechowski

  DOI：10.1016/j.tet.2005.07.015

  日期：2005.9

  Alkyl- and arylsulfanylation of 1,3-dihydro-2,1-benzisothiazole 2,2-dioxides (benzosultams) 1a–c and pyridosultam 1d with dialkyl and diaryl disulfides provides dithioacetals of 2-aminobenzaldehydes 6–13. 1,3-Dimethylbenzosultam 19 with disulfides forms 3-alkyl(aryl)sulfanyl-1,3-dimethylbenzosultams 20–22 that undergo thermal extrusion of SO2 followed by a [1,5] sigmatropic hydrogen shift in the intermediate

  烷基-和1,3-二氢-2,1-苯并异噻唑2,2-二氧化物（benzosultams）arylsulfanylation 1A - Ç和pyridosultam 1D与二烷基二芳基二硫化物提供的2-aminobenzaldehydes二硫6 - 13。1,3- Dimethylbenzosultam 19与二硫化物形式的3 -烷基（芳基）硫基-1,3- dimethylbenzosultams 20 - 22经历SO的热挤压2后跟一个[1,5]σ迁移氢在中间氮杂移邻-亚二甲苯导致1-芳基乙烯基硫化物24 – 26。苯并-和嘧啶磺胺类的串联烷基化-磺酰化1A - d与4-溴丁基硫氰酸给出tetrahydrothiopyrano螺benzosultams 27 - 30的是，如此挤压后2和[1,5]氢移，形成2-芳基-5,6-二氢-4- ħ -thiopyrans 32 - 35。吡啶并杜鹃1d
• CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM
  申请人：Yoshida Hiroshi

  公开号：US20120004227A1

  公开（公告）日：2012-01-05

  The present invention discloses novel cyclohexane derivatives having NPY Y5 receptor antagonistic activity. Specifically, the present invention discloses a compound represented by the formula (I), or a pharmaceutically acceptable salt or a solvate thereof: wherein A is substituted or unsubstituted aryl or heterocyclyl; a combination of X and Y is a combination selected from (X, Y)═(C(═O)N(R 1 ), C(═O)N(R 2 )), (C(═O)N(R 1 ), imidazole-1,3-diyl), (N(R 1 ), C(═O)N(R 2 )), (O, C(═O)N(R 2 )), (C(R 3 )(R 4 ), N(R 2 )) or (a single bond, C(═O)N(R 2 )); R 1 , R 2 and R 3 are independently hydrogen or substituted or unsubstituted alkyl; R 5 is substituted or unsubstituted aryl or heterocyclyl; R 6 is halogen, oxo, substituted or unsubstituted alkyl, substituted or unsubstituted alkoxy, substituted or unsubstituted aryloxy; m is 0 or 1; and n is an integer of 0 to 5; and B is aromatic carbocycle, monocyclic heterocycle or fused bicyclic heterocycle.

  本发明公开了具有NPY Y5受体拮抗活性的新型环己烷衍生物。具体地，本发明公开了由以下式（I）表示的化合物，或其药学上可接受的盐或溶剂：其中A是取代或未取代的芳基或杂环基；X和Y的组合是从（X，Y）=（C(═O)N(R1)，C(═O)N(R2))，(C(═O)N(R1)，咪唑-1,3-二基)，(N(R1)，C(═O)N(R2))，(O，C(═O)N(R2))，(C(R3)(R4)，N(R2))或（单键，C(═O)N(R2))中选择的组合；R1，R2和R3独立地是氢或取代或未取代的烷基；R5是取代或未取代的芳基或杂环基；R6是卤素、氧代、取代或未取代的烷基、取代或未取代的烷氧基、取代或未取代的芳氧基；m为0或1；n为0到5的整数；B是芳香族碳环、单环杂环或融合双环杂环。
• Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof
  申请人：INVENTISBIO SHANGHAI LTD.

  公开号：US11203589B2

  公开（公告）日：2021-12-21

  The present invention disclosed a class of pyrimidine compounds, pharmaceutically acceptable salts, stereoisomers, prodrugs and solvates thereof, preparation method therefor and pharmaceutical compositions and pharmaceutical uses thereof. See e.g., Formula I below. The compounds can inhibit the variants of EGFR (Epidermis Growth Factor Receptor), and the growth of a variety of tumor cells effectively and can be used for the treatment, combined therapy or prevention of various different cancers, particularly for treating or preventing diseases, disturbances, disorders or conditions mediated by epidermis growth factor receptor variants (such as L858R activated mutants, Exon19 deletion activated mutants and T790M resistant mutants).

  本发明公开了一类嘧啶化合物、其药学上可接受的盐、立体异构体、原药和溶媒、其制备方法和药物组合物及其药物用途。见下文式 I 等。本发明化合物可有效抑制表皮生长因子受体（EGFR）的变体，抑制多种肿瘤细胞的生长，可用于各种不同癌症的治疗、联合治疗或预防，特别是用于治疗或预防由表皮生长因子受体变体（如L858R激活突变体、Exon19缺失激活突变体和T790M耐药突变体）介导的疾病、紊乱、失调或病症。
• PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF
  申请人：INVENTISBIO SHANGHAI LTD.

  公开号：US20170355696A1

  公开（公告）日：2017-12-14

  The present invention disclosed a class of pyrimidine or pyridine compounds, pharmaceutically acceptable salts, stereoisomers, prodrugs and solvates thereof, preparation method therefor and pharmaceutical compositions and pharmaceutical uses thereof. The compounds can inhibit the variants of EGFR (Epidermis Growth Factor Receptor) proteinases, and therefore can inhibit the growth of a variety of tumor cells effectively. The compounds can be used to prepare antitumor drugs, used for the treatment, combined therapy or prevention of various different cancers. The compounds can overcome the drug resistance induced by the existing first-generation EGFR inhibitors such as gefitinib, erlotinib and so on. Particularly, the compounds can be used to prepare drugs for treating or preventing diseases, disturbances, disorders or conditions mediated by epidermis growth factor receptor variants (such as L858R activated mutants, Exon19 deletion activated mutants and T790M resistant mutants).