4-methyl-2-nitro-thiobenzamide | 923945-96-4

• 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: 4-methyl-2-nitro-thiobenzamide
• 英文别名: 4-methyl-2-nitrobenzenecarbothioamide
• CAS: 923945-96-4
• 化学式: C₈H₈N₂O₂S
• 分子量: 196.23
• InChiKey: OTOKPKGDICCKPV-UHFFFAOYSA-N

物化性质

• 沸点：
  359.1±52.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-2-nitro-thiobenzamide 、 2-溴-1,1-二乙氧基乙烷 在 对甲苯磺酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.5h， 生成 2-(4-methyl-2-nitro-phenyl)-thiazole
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL FOR INHIBITING CHK1
  [FR] COMPOSES UTILES POUR INHIBER LA CHK1

  摘要：

  公开号：

  WO2006014359A3
• 作为产物：
  描述：

  4-甲基-2-硝基苯甲酰胺 在 2,4-双(4-苯氧苯基)-1,3-二硫杂-2,4-二磷杂环丁烷-2,4-二硫化物 作用下， 以 四氢呋喃 为溶剂， 生成 4-methyl-2-nitro-thiobenzamide
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL FOR INHIBITING CHK1
  [FR] COMPOSES UTILES POUR INHIBER LA CHK1

  摘要：

  公开号：

  WO2006014359A3

文献信息

• 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof
  申请人：Zhang Nan

  公开号：US20090270363A1

  公开（公告）日：2009-10-29

  The present invention discloses fused bicyclic 2-aryl- or 2-heteroarylthiazolyl compounds and their pharmaceutically acceptable salts and esters thereof, which are useful for inhibiting the growth of cancerous cells, inhibiting human breast carcinoma tumor growth in particular and to treat diseases or disorders associated with securin, including elevated securin levels.

  本发明公开了融合的双环2-芳基-或2-杂环基硫唑基化合物及其药学上可接受的盐和酯，其对抑制癌细胞生长、特别是对抑制人类乳腺癌肿瘤生长以及治疗与分离素有关的疾病或疾病相关障碍，包括升高的分离素水平具有用处。
• Macrocylic Inhibitors of Hepatitis C Virus
  申请人：Simmen Kenneth Alan

  公开号：US20090105302A1

  公开（公告）日：2009-04-23

  Inhibitors of HCV replication of formula (I) and the N-oxides, salts, or stereoisomers thereof, wherein each dashed line (represented by - - - - -) represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is —OR 6 , —NH—SO 2 R 7 ; R 2 is hydrogen, and where X is C or CH, R 2 may also be C 1-6 alkyl; R 3 is hydrogen, C 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, or C 3-7 cycloalkyl; n is 3, 4, 5, or 6; R 4 and R 5 independently from one another are hydrogen, halo, hydroxy, nitro, cyano, carboxyl, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxyC 1-6 alkyl, C 1-6 alkylcarbonyl, C 1-6 alkoxy-carbonyl, amino, azido, mercapto, C 1-6 alkylthio, polyhaloC 1-6 alkyl, aryl or Het; W is aryl or Het; R 6 is hydrogen; aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; R 7 is aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; aryl is phenyl or naphthyl, each optionally substituted with 1-3 substituents; Het is a 5 or 6 membered saturated, partially unsaturated or completely unsaturated heterocyclic ring containing 1-4 heteroatoms each independently selected from N, O or S, and optionally substituted with 1-3 substituents; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I). Bioavailable combinations of the inhibitors of HCV of formula (I) with ritonavir are also provided.

  HCV复制抑制剂的公式(I)及其N-氧化物、盐或立体异构体，其中每个虚线（由- - - - -表示）表示可选的双键；X为N、CH，其中X带有双键时为C；R1为—OR6、—NH—SO2R7；R2为氢，当X为C或CH时，R2也可以是C1-6烷基；R3为氢、C1-6烷基、C1-6烷氧基C1-6烷基或C3-7环烷基；n为3、4、5或6；R4和R5相互独立，为氢、卤素、羟基、硝基、氰基、羧基、C1-6烷基、C1-6烷氧基、C1-6烷氧基C1-6烷基、C1-6烷基羰基、C1-6烷氧羰基、氨基、偶氮基、巯基、C1-6烷基硫基、多卤素C1-6烷基、芳基或杂环基；W为芳基或杂环基；R6为氢、芳基、杂环基、C3-7环烷基，可选地被C1-6烷基取代；或C1-6烷基，可选地被C3-7环烷基、芳基或杂环基取代；R7为芳基、杂环基、C3-7环烷基，可选地被C1-6烷基取代；或C1-6烷基，可选地被C3-7环烷基、芳基或杂环基取代；芳基为苯基或萘基，每个可选地取代1-3个取代基；杂环基为含有1-4个杂原子的5或6元饱和、部分不饱和或完全不饱和的杂环，每个独立选择自N、O或S，并可选地取代1-3个取代基；包含化合物(I)的制药组合物和制备化合物(I)的方法。还提供了公式(I)的HCV抑制剂与利托那韦的生物利用度组合。
• Compounds useful for inhibiting CHK1
  申请人：ICOS Corporation

  公开号：US07560462B2

  公开（公告）日：2009-07-14

  Substituted urea compounds useful in the treatment of diseases and C1-3alkyleneOR3 conditions related to DNA damage or lesions in DNA replication are disclosed formula (I), wherein X1 is null, —O—, —S—, —CH2—, or —N(R1)—; X2 is —O—, . -£>. -, or —N(R1)—,—. . Y xs 0 or S; or =y represents two hydrogen atoms attached to a common carbon atom, —W is selected from the group consisting of heteroaryl, aryl, heterocycloalkyl, cycloalkyl, and C1-6alkyl substituted with a heteroaryl. or aryl group; R6 is —C≡C—R7 or heteroaryl; R8, R9, and R10, independently, are selected from the group consisting of halo, optionally substituted C1-6alkyl, C2-6alkenyl, C2-6alkynyl, OCP3, CF3, NO2, CN, NC, N(R3)2, OR3, CO2R3, C(O)N (R3)2, C(O)R3, N(R1)COR3, N(R1)C(O)OR3, N(R8)C(O)OR3, N(R1)C(O)C1-3alkyleneC(O)R3, N(R1)C(O)C1 -3alkyleneC(O)OR3, N(R1)C(O)C1-3alkyleneOR3, N(R1)C(O)C1-3alkyleneNHC(O)OR3, N(R1)C(O)C1-3alkyleneSO2.NR3, C1-3alkyleneOR3, and SR3; Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed.

  本发明公开了在治疗与DNA损伤或DNA复制中的损伤相关的疾病和C1-3烷基OR3条件中有用的取代脲化合物的公式(I)，其中X1为null，—O—，—S—，—CH2—或—N(R1)—；X2为—O—，—. . —，或—N(R1)—，—. . Y xs 0或S；或=y代表附加在共同碳原子上的两个氢原子，—W从异芳基，芳基，杂环烷基，环烷基和被异芳基或芳基基团取代的C1-6烷基中选择；R6为—C≡C—R7或杂环芳基；独立选择的R8、R9和R10从卤素，可选取代的C1-6烷基，C2-6烯基，C2-6炔基，OCP3，CF3，NO2，CN，NC，N(R3)2，OR3，CO2R3，C(O)N(R3)2，C(O)R3，N(R1)COR3，N(R1)C(O)OR3，N(R8)C(O)OR3，N(R1)C(O)C1-3烷基C(O)R3，N(R1)C(O)C1-3烷基C(O)OR3，N(R1)C(O)C1-3烷基OR3，N(R1)C(O)C1-3烷基NHC(O)OR3，N(R1)C(O)C1-3烷基SO2.NR3，C1-3烷基OR3和SR3中选择；公开了制备这些化合物的方法以及它们作为治疗剂的用途，例如在治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病中使用。
• Macrocyclic inhibitors of hepatitis C virus
  申请人：Tibotec Pharmaceuticals Ltd.

  公开号：US07666834B2

  公开（公告）日：2010-02-23

  Inhibitors of HCV replication of formula (I) and the N-oxides, salts, or stereoisomers thereof, wherein each dashed line (represented by - - - - -) represents an optional double bond; X is N, CH and where X bears a double bond it is C; R1 is —OR6, —NH—SO2R7; R2 is hydrogen, and where X is C or CH, R2 may also be C1-6alkyl; R3 is hydrogen, C1-6alkyl, C1-6alkoxyC1-6alkyl, or C3-7cycloalkyl; n is 3, 4, 5, or 6; R4 and R5 independently from one another are hydrogen, halo, hydroxy, nitro, cyano, carboxyl, C1-6alkyl, C1-6alkoxy, C1-6alkoxyC1-6alkyl, C1-6alkylcarbonyl, C1-6alkoxy-carbonyl, amino, azido, mercapto, C1-6alkylthio, polyhaloC1-6alkyl, aryl or Het; W is aryl or Het; R6 is hydrogen; aryl; Het; C3-7cycloalkyl optionally substituted with C1-6alkyl; or C1-6alkyl optionally substituted with C3-7cycloalkyl, aryl or with Het; R7 is aryl; Het; C3-7cycloalkyl optionally substituted with C1-6alkyl; or C1-6alkyl optionally substituted with C3-7cycloalkyl, aryl or with Het; aryl is phenyl or naphthyl, each optionally substituted with 1-3 substituents; Het is a 5 or 6 membered saturated, partially unsaturated or completely unsaturated heterocyclic ring containing 1-4 heteroatoms each independently selected from N, O or S, and optionally substituted with 1-3 substituents; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I). Bioavailable combinations of the inhibitors of HCV of formula (I) with ritonavir are also provided.

  公式（I）及其N-氧化物、盐或立体异构体的HCV复制抑制剂，其中每个虚线（由- - - - -表示）表示可选的双键；X为N，CH，其中X带有双键时为C；R1为—OR6，—NH—SO2R7；R2为氢，且当X为C或CH时，R2也可以是C1-6烷基；R3为氢，C1-6烷基，C1-6烷氧基C1-6烷基或C3-7环烷基；n为3、4、5或6；R4和R5各自独立地为氢、卤素、羟基、硝基、氰基、羧基、C1-6烷基、C1-6烷氧基、C1-6烷氧基C1-6烷基、C1-6烷基羰基、C1-6烷氧基羰基、氨基、偶氮基、巯基、C1-6烷基硫代基、多卤C1-6烷基、芳基或Het；W为芳基或Het；R6为氢；芳基；Het；C3-7环烷基，可选择性地取代C1-6烷基；或C1-6烷基，可选择性地取代C3-7环烷基、芳基或Het；R7为芳基；Het；C3-7环烷基，可选择性地取代C1-6烷基；或C1-6烷基，可选择性地取代C3-7环烷基、芳基或Het；芳基为苯基或萘基，每个都可以选择性地取代1-3个取代基；Het是一个5或6成员饱和、部分不饱和或完全不饱和的杂环环，其中每个独立地从N、O或S中选择1-4个杂原子，并可选择性地取代1-3个取代基；含有化合物（I）的制药组合物和制备化合物（I）的过程也提供。还提供了公式（I）的HCV抑制剂与利托那韦的生物利用度组合。
• WO2007/14922
  申请人：——

  公开号：——

  公开（公告）日：——