1-[(4-碘苯基)羰基]-4-甲基哌嗪 | 102294-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[(4-碘苯基)羰基]-4-甲基哌嗪
• 英文名称: 1-[(4-iodophenyl)carbonyl]-4-methylpiperazine
• 英文别名: 1-(4-Iodobenzoyl)-4-methylpiperazine；(4-iodophenyl)-(4-methylpiperazin-1-yl)methanone
• CAS: 102294-90-6
• 化学式: C₁₂H₁₅IN₂O
• mdl: MFCD03703905
• 分子量: 330.168
• InChiKey: BBMFZVHBKNMGJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-甲基-3-(丙烷-2-基)-3H-咪唑-4-基)嘧啶-2-胺 、 1-[(4-碘苯基)羰基]-4-甲基哌嗪 在 palladium diacetate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}pyrimidin-2-amine
  参考文献：
  名称：

  The discovery of AZD5597, a potent imidazole pyrimidine amide CDK inhibitor suitable for intravenous dosing

  摘要：

  The development of a novel series of imidazole pyrimidine amides as cyclin-dependent kinase (CDK) inhibitors is described. Optimisation of inhibitory potency against multiple CDK's (1, 2 and 9) resulted in imidazole pyrimidine amides with potent in vitro anti-proliferative effects against a range of cancer cell lines. Excellent physiochemical properties and large margins against inhibition of CYP isoforms and the hERG ion channel were achieved by modi. cation of lipophilicity and amine basicity. A candidate with disease model activity in human cancer cell line xenografts and with suitable physiochemical and pharmacokinetic profiles for intravenous (iv) dosing was selected for further development as AZD5597. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.102
• 作为产物：
  描述：

  4-碘苯甲酸 在 草酰氯 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-[(4-碘苯基)羰基]-4-甲基哌嗪
  参考文献：
  名称：

  [EN] IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS
  [FR] DÉRIVÉS D'IMIDAZO[4,5-C]PYRIDINE ET DE PYRROLO[2,3-C]PYRIDINE EN TANT QU'INHIBITEURS SSAO

  摘要：

  式(I)的化合物是半羧肼敏感胺氧化酶（SSAO）活性的抑制剂，可用于治疗炎症、炎症性疾病、免疫或自身免疫性疾病，或抑制肿瘤生长。

  公开号：

  WO2014140592A1

文献信息

• New phenylpyridylpiperazine compounds
  申请人：Desos Patrice

  公开号：US20060258670A1

  公开（公告）日：2006-11-16

  A compound selected from those of formula (I): wherein: X represents a C(O) or SO 2 group, R 1 represents an aryl group or a group NR 3 R 4 wherein R 3 and R 4 are as defined in the description, R 2 represents an alkyl, (C 3 -C 8 )cycloalkyl or (C 3 -C 8 )cycloalkyl-(C 1 -C 6 )alkyl group, its isomers, and addition salts thereof, and medicinal products containing the same which are useful in treating conditions treatable by antagonists of type H 3 central histamine receptors.

  从式(I)中选择的一种化合物： 其中： X代表C(O)或SO2基团， R1代表芳基或基团NR3R4，其中R3和R4如描述中所定义， R2代表烷基，(C3-C8)环烷基或(C3-C8)环烷基-(C1-C6)烷基基团，其异构体和其盐， 以及含有这种化合物的药物产品，用于治疗可通过H3型中枢组胺受体拮抗剂治疗的疾病。
• NEW COMPOUNDS
  申请人：Proximagen Limited

  公开号：US20150258101A1

  公开（公告）日：2015-09-17

  The present invention provides certain compounds according to formula (I) which are inhibitors of SSAO activity wherein V, W, X, Y, Z, R 1 and R 2 are as defined in the specification.

  本发明提供了一些按照式(I)的化合物，这些化合物是SSAO活性的抑制剂，其中V、W、X、Y、Z、R1和R2如规范中所定义。
• [EN] BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS<br/>[FR] COMPOSÉS BICYCLIQUES ET UTILISATIONS ASSOCIÉES EN TANT QU'INHIBITEURS MIXTES DE C-SRC/JAK
  申请人：DEBIOPHARM SA

  公开号：WO2011101806A1

  公开（公告）日：2011-08-25

  The present invention relates to substituted aromatic bicyclic compounds containing pyrimidine and pyridine rings of formula (I) having the structure as well as pharmaceutically acceptable salts thereof. The compounds of the present invention are useful as tyrosine kinase inhibitors, preferably SRC family kinases (SFKs) inhibitors, in particular as multi SFK/JAK. kinases inhibitors and even preferably as dual c-SRC/JAK kinases inhibitors, thereby inhibiting the STAT3 activation and therefore abnormal growth of particular cell types. Notably, the compounds of the present invention are useful for the treatment or inhibition of certain diseases that are the result of deregulation of STAT3.

  本发明涉及含有嘧啶和吡啶环的取代芳香族双环化合物的化学式(I)，以及其药学上可接受的盐。本发明的化合物可用作酪氨酸激酶抑制剂，优选为SRC家族激酶（SFKs）抑制剂，特别是作为多种SFK/JAK激酶抑制剂，甚至更优选地作为双重c-SRC/JAK激酶抑制剂，从而抑制STAT3的激活，进而抑制特定细胞类型的异常生长。值得注意的是，本发明的化合物可用于治疗或抑制由于STAT3失调而导致的某些疾病。
• [EN] JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF<br/>[FR] INHIBITEUR DE LA JNK, COMPOSITION PHARMACEUTIQUE ASSOCIÉE ET UTILISATION ASSOCIÉE<br/>[ZH] JNK抑制剂、其药物组合物和用途
  申请人：WUHAN LL SCIENCE AND TECH DEVELOPMENT CO LTD

  公开号：WO2022048684A1

  公开（公告）日：2022-03-10

  提供了下式(I)所示的化合物、其消旋体、立体异构体、互变异构体、同位素标记物、溶剂化物、多晶型物、氮氧化物或它们药学上可接受的盐，其可用作JNK抑制剂。还提供了式(I)所示化合物的制备方法，包含式(I)所示化合物的药物组合物，以及式(I)所示化合物用于制备药物的用途，所述药物用于治疗可通过抑制JNK活性而得以治疗的疾病。
• BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS
  申请人：Mc Allister Andrès

  公开号：US20130143895A1

  公开（公告）日：2013-06-06

  The present invention relates to substituted aromatic bicyclic compounds containing pyrimidine and pyridine rings of formula (I) having the structure as well as pharmaceutically acceptable salts thereof. The compounds of the present invention are useful as tyrosine kinase inhibitors, preferably SRC family kinases (SFKs) inhibitors, in particular as multi SFK/JAK. kinases inhibitors and even preferably as dual c-SRC/JAK kinases inhibitors, thereby inhibiting the STAT3 activation and therefore abnormal growth of particular cell types. Notably, the compounds of the present invention are useful for the treatment or inhibition of certain diseases that are the result of deregulation of STAT3.

  本发明涉及公式（I）的含有嘧啶和吡啶环的取代芳香族双环化合物及其药学上可接受的盐。本发明的化合物可用作酪氨酸激酶抑制剂，优选为SRC家族激酶（SFKs）抑制剂，特别是作为多种SFK/JAK激酶抑制剂，更优选作为双重c-SRC/JAK激酶抑制剂，从而抑制STAT3的活化，因此抑制特定细胞类型的异常生长。值得注意的是，本发明的化合物可用于治疗或抑制由STAT3失调引起的某些疾病。