1-异丙基-4-(4-羟基苯基)哌嗪 | 67914-97-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-异丙基-4-(4-羟基苯基)哌嗪
• 中文别名: 特康唑侧链；咪鲜胺；N-丙基-N-[2-(2,4,6-三氯苯氧基)乙基]-1H咪唑-1-甲酰胺；4-(4-异丙基-1-哌嗪基)苯酚；4-(4-羟基苯基)-1-异丙基哌嗪
• 英文名称: 4-(4-hydroxyphenyl)-1-(1-methylethyl)piperazine
• 英文别名: 4-(4-isopropylpiperazin-1-yl)phenol；p-(4-isopropyl-1-piperazinyl)phenol；1-(4-hydroxyphenyl)-4-(1-methylethyl)piperazine；1-Isopropyl-4-(4-hydroxyphenyl)piperazine；4-(4-propan-2-ylpiperazin-1-yl)phenol
• CAS: 67914-97-0
• 化学式: C₁₃H₂₀N₂O
• mdl: MFCD02071478
• 分子量: 220.315
• InChiKey: BMBPGRMBBHKAEP-UHFFFAOYSA-N

物化性质

• 熔点：
  274.4 °C(Solv: 1-butanol (71-36-3))
• 沸点：
  364.8±37.0 °C(Predicted)
• 密度：
  1.083±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  Cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate 、 1-异丙基-4-(4-羟基苯基)哌嗪 在 sodium hydride 作用下， 生成 terconazole
  参考文献：
  名称：

  Antimycotic azoles. 6. Synthesis and antifungal properties of terconazole, a novel triazole ketal

  摘要：

  The preparation and antifungal properties of cis-1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1, 3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine are reported. Terconazole has a high topical in vivo activity against vaginal candidosis in rats and against dermatophytosis in guinea pigs.

  DOI：

  10.1021/jm00358a032
• 作为产物：
  描述：

  4-(4-甲氧基苯基)-1-(1-甲基乙基)哌嗪 在 氢溴酸 作用下， 以85%的产率得到1-异丙基-4-(4-羟基苯基)哌嗪
  参考文献：
  名称：

  Antimycotic azoles. 6. Synthesis and antifungal properties of terconazole, a novel triazole ketal

  摘要：

  The preparation and antifungal properties of cis-1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1, 3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine are reported. Terconazole has a high topical in vivo activity against vaginal candidosis in rats and against dermatophytosis in guinea pigs.

  DOI：

  10.1021/jm00358a032

文献信息

• [EN] HOMOCHIRAL COMPOUNDS FOR THE PREPARATION OF KETOCONAZOLE, TERCONAZOLE AND RELATED ANTIFUNGAL DRUGS<br/>[FR] COMPOSES HOMOCHIRAUX DESTINES A LA PREPARATION DE CETOCONAZOLE, DE TERCONAZOLE ET MEDICAMENTS ANTIFONGIQUES ASSOCIES
  申请人：LABORATORIOS MENARINI S.A.

  公开号：WO1996029325A1

  公开（公告）日：1996-09-26

  (EN) The present invention relates to novel homochiral compounds which are intermediates for the preparation of a number of azole antifungal drugs of formula (V), in an enantiomerically pure form, wherein Ar is a phenyl or substituted phenyl group, so that the substituted phenyl group can contain one to three substituents, which can independently be fluorine, chlorine, bromine, (C1-C4)-alkyl or (C¿1-C4)-alkyloxy; Y is a CH group or a nitrogen atom; Z is a group COCH3, CH(CH3)2 or (a). The present invention also relates to the compounds (+)-terconazole and (-)-terconazole. Said compounds show antifungal and antibacterial activities and they can be used in human and veterinary therapies.(FR) La présente invention se rapporte à des nouveaux composés homochiraux qui sont des intermédiaires utilisés pour la préparation, sous une forme énantiomère pure, d'un certain nombre de médicaments antifongiques à base d'azole, de la formule (V). Dans cette formule Ar représente un groupe phényle ou un groupe phényle substitué de sorte qu'il puisse contenir un à trois substituants, lesquels peuvent être indépendamment fluor, chlore, brome, alkyle C1-C4 ou alkyloxy C1-C4; Y représente un groupe CH ou un atome d'azote; Z représente un groupe COCH3, CH(CH3)2 ou (a). L'invention se rapporte également à des composés (+)-terconazole et (-)-terconazole. Ces composés possèdent des activités antifongiques et antibactériennes et on peut les utiliser à des fins thérapeutiques chez l'humain et l'animal.

  本发明涉及一种新的同构化合物，其为制备多种azole类抗真菌药物的中间体，以对映异构体纯形式存在，其中Ar为苯基或取代苯基，取代苯基可以含有1-3个取代基，这些基可以独立地为氟、氯、溴、(C1-C4)烷基或(C1-C4)烷氧基；Y为CH基或氮原子；Z为COCH3基、CH(CH3)2基或(a)基。本发明还涉及化合物(+)-terconazole和(-)-terconazole。这些化合物表现出抗真菌和抗菌活性，可用于人类和兽医治疗。
• 2-Aryl-1-(imidazol-1-yl)-8-(4-piperazin-1-ylphenoxy) octan-2-ol
  申请人：Pfizer Inc.

  公开号：US04435399A1

  公开（公告）日：1984-03-06

  A series of novel 2-aryl-1-(imidazol-1-yl)-8-(4-piperazin-1-ylphenoxy)octan-2-ol derivatives has been prepared, including their pharmaceutically acceptable acid addition salts. These particular compounds are useful in therapy as antifungal agents for the treatment of various topical, mucosal and systemic fungal infections in animals, including humans. Preferred member compounds include 2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-8-[4-ethylpiperazin-1-yl)phenoxy] octan-2-ol, 2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-8-[4-(4-n-propylpiperazin-1-yl)ph enoxy]octan-2-ol and 2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-8-[4-(4-isopropylpiperazin-1-yl)p henoxy]octan-2-ol, respectively. Methods for preparing these compounds from known starting materials are provided.

  一系列新型2-芳基-1-(咪唑-1-基)-8-(4-哌嗪-1-基苯氧)辛-2-醇衍生物已经制备出来，包括它们药学上可接受的酸盐。这些特定化合物在治疗动物（包括人类）的各种局部、黏膜和全身真菌感染方面作为抗真菌剂是有用的。首选成员化合物包括2-(2,4-二氯苯基)-1-(咪唑-1-基)-8-[4-乙基哌嗪-1-基)苯氧]辛-2-醇、2-(2,4-二氯苯基)-1-(咪唑-1-基)-8-[4-(4-正丙基哌嗪-1-基)苯氧]辛-2-醇和2-(2,4-二氯苯基)-1-(咪唑-1-基)-8-[4-(4-异丙基哌嗪-1-基)苯氧]辛-2-醇。提供了从已知起始材料制备这些化合物的方法。
• Compositions and Methods for Inducing Cell Dedifferentiation
  申请人：Chen Shuibing

  公开号：US20070254884A1

  公开（公告）日：2007-11-01

  The present invention provides compositions and methods for dedifferentiating lineage committed mammalian cells.

  本发明提供了用于去分化已分化系谱哺乳动物细胞的组合物和方法。
• COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION
  申请人：Chen Shuibing

  公开号：US20100022533A1

  公开（公告）日：2010-01-28

  The present invention provides compounds, compositions and methods for dedifferentiating lineage committed mammalian cells into stem cells. The present invention also provides methods of inducing dedifferentiation of lineage committed mammalian cells into stem cells, which can be further differentiated into various lineage committed cells. Methods of identifying additional compounds useful for inducing dedifferentiation of lineage committed cells into stem cells are also provided.

  本发明提供了将已分化的系谱承诺哺乳动物细胞转化为干细胞的化合物、组合物和方法。本发明还提供了诱导已分化的系谱承诺哺乳动物细胞转化为干细胞的方法，这些干细胞可以进一步分化为各种系谱承诺的细胞。本发明还提供了用于诱导已分化的系谱承诺细胞转化为干细胞的其他有用化合物的鉴定方法。
• PI3 KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Ni Zhi-Jie

  公开号：US20100075965A1

  公开（公告）日：2010-03-25

  Phosphatidylinositol (PI) 3 kinase inhibitor compounds, their pharmaceutically acceptable salts, and prodrugs thereof; compositions of the new compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier; and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of proliferative diseases characterized by the abnormal activity of growth factors, protein serine/threonine kinases, phospholipid kinases, G-protein coupled receptors, and phosphatases.

  磷脂酰肌醇（PI）3激酶抑制剂化合物及其药学上可接受的盐和前药；新化合物的组合物，可以单独使用或与至少一种其他治疗药物结合，与药学上可接受的载体；以及新化合物的用途，可以单独使用或与至少一种其他治疗药物结合，用于预防或治疗增殖性疾病，其特征是生长因子、蛋白质丝氨酸/苏氨酸激酶、磷脂酰肌醇激酶、G蛋白偶联受体和磷酸酶的异常活性。