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4-(2-chloro-9-thioxanthenylidene)-piperidine | 42753-90-2

中文名称
——
中文别名
——
英文名称
4-(2-chloro-9-thioxanthenylidene)-piperidine
英文别名
4-(2-chloro-9H-thioxanthen-9-ylidene)piperidine;2-Chloro-9-(4-piperidylidene)thioxanthene;4-(2-chloro-9-thioxanthenylidene)piperidine;4-(2-chlorothioxanthen-9-ylidene)piperidine
4-(2-chloro-9-thioxanthenylidene)-piperidine化学式
CAS
42753-90-2
化学式
C18H16ClNS
mdl
——
分子量
313.851
InChiKey
FQLSBXCEUFTIHI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    463.8±45.0 °C(Predicted)
  • 密度:
    1.291±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    4.4
  • 重原子数:
    21
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.22
  • 拓扑面积:
    37.3
  • 氢给体数:
    1
  • 氢受体数:
    2

SDS

SDS:466e6ad4c226ec58e5a085be86671c83
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-(2-chloro-9-thioxanthenylidene)-piperidine三乙胺 作用下, 以 异丙醇甲苯 为溶剂, 生成 N'-(3-(4-(2-chloro-9H-thioxanthen-9-ylidene)piperidin-1-yl)propyl)isonicotinohydrazide
    参考文献:
    名称:
    反向异烟肼:抗结核分枝杆菌的设计,合成和评估
    摘要:
    通过将异烟肼与各种外排泵抑制剂(EPI)核及其结构基序共价连接,合成了新型反向异烟肼(RINH)剂。这些RINH剂然后针对敏感,异烟肼单抗性和MDR临床分离株的抗分枝杆菌活性的评估结核分枝杆菌和所选择的一些化合物还测试了离体细胞内的活性以及在溴化乙锭(EB)测定外排泵抑制功效。针对的各种菌株一些化合物的效力的结核分枝杆菌(4A - ç,7和8 ;分枝杆菌H37Rv-MIC 99 ≤1.25μM,R5401-MIC 99≤2.5微米,X_61-MIC 99 ≤5微米)证明的逆转抗结核剂战略走向新的抗分枝杆菌剂的发展,解决耐药性的迅速增长的问题的可能性。此外,对于> 90%的通过抑制巨噬细胞活性1A - Ç和图3b(MIC 90 ≤13.42μM)和EB的抑制流出证明这些化合物是令人鼓舞的。
    DOI:
    10.1016/j.bmc.2017.12.047
  • 作为产物:
    描述:
    2-氯噻吨酮盐酸氢氧化钾magnesium 作用下, 以 乙醇溶剂黄146 为溶剂, 反应 18.0h, 生成 4-(2-chloro-9-thioxanthenylidene)-piperidine
    参考文献:
    名称:
    Thioxanthene derivatives of pharmacological interest: 1,2,4-Trichloro and 2,4,5,6-tetrachloro derivatives of 9-(3-dimethylaminopropylidene)thioxanthene
    摘要:
    2,4,5-三氯硫代苯酚(II)与2-碘苯甲酸和2,3-二氯硫代苯酚与3,5-二氯-2-碘苯甲酸反应,得到酸III和IX,它们被环化为硫代黄酮VI和XV。这些酮与3-二甲氨基丙基氯化镁反应,得到氨基醇VII和XVI,经酸催化脱水转化为标题化合物I和VIII。通过改良合成方法得到2-氯-9-[1-(2-羟乙基)-4-哌啶基]硫代黄酮(XVII)。化合物I在中枢神经系统效应方面无活性,但在体外试验中对革兰氏阳性微生物具有高抑制活性。化合物XVII 具有轻度镇静剂特性。
    DOI:
    10.1135/cccc19842295
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文献信息

  • Xanthene and thioxanthene derivatives
    申请人:Kefalas A/S
    公开号:US04275209A1
    公开(公告)日:1981-06-23
    The present invention relates to novel thioxanthene and xanthene derivatives which have useful pharmacodynamic activity, such as neuroleptic activity and antiemetic activity, methods for the preparation of said derivatives, pharmaceutical compositions containing same, and a method for the treatment of psychic disorders by administering a therapeutically active amount of one of said derivatives to a living animal body, including human beings. The new compounds of the present invention corresponds to the Formula I: ##STR1## wherein X is a halogen atom, an alkyl group with from one to four carbon atoms inclusive, an alkyloxy group with from one to four carbon atoms inclusive, a methylthio group, a methylsulphonyl group, a dimethylsulfamoyl group, a trifluoromethyl group or an acetyl group; Y is hydrogen, fluorine or a methyl group; Z is oxygen or sulphur; n is an integer from zero to three inclusive, and R is a cycloalkyl group with from four to six carbon atoms inclusive in the ring substituted with from one to four substituents selected from optionally esterified hydroxy- or hydroxymethyl groups, methyl groups, amino groups, acetamido groups, mesylamino groups or oxo groups, a five- or six-membered saturated heterocyclic ring having one or two heteroatoms selected from oxygen and nitrogen atoms and being optionally substituted with an optionally esterified hydroxy group or oxo group, any esterified hydroxy group present being an ester of an aliphatic carboxylic acid having from ten to twentytwo carbon atoms inclusive, as well as their non-toxic pharmaceutically acceptable acid addition salts.
    本发明涉及具有有用的药理活性的新噻二嗪和苯醚衍生物,如抗精神分裂活性和抗恶心活性,以及制备该衍生物的方法,含有同样衍生物的药物组合物,以及通过向活体动物体内(包括人类)施用所述衍生物中的一种治疗活性量的方法来治疗精神障碍的方法。本发明的新化合物对应于以下化学式I:其中X是卤素原子,具有一到四个碳原子的烷基基团,具有一到四个碳原子的烷氧基团,甲硫基团,甲磺酰基团,二甲基磺酰基团,三氟甲基基团或乙酰基;Y是氢、氟或甲基;Z是氧或硫;n是从零到三的整数,R是一个环中带有四到六个碳原子的环烷基基团,该环被从一到四个选自可选择酯化的羟基或羟甲基基团、甲基基团、氨基团、乙酰胺基团、甲磺酰氨基团或氧代基团的取代基取代;一个含有氧和氮原子中的一个或两个异原子的五元或六元饱和杂环,可以选择地被一个可选择酯化的羟基或氧代基取代,存在的任何酯化的羟基均为具有十到二十二个碳原子的脂肪族羧酸的酯,以及它们的无毒的药学上可接受的酸盐。
  • Pharmaceutical compositions and method of producing anti-psychotic
    申请人:SmithKline Corporation
    公开号:US04086350A1
    公开(公告)日:1978-04-25
    Tricyclic piperidylidene derivatives administered internally to an animal host, in therapeutically effective amounts, produce antipsychotic activity without extrapyramidal symptoms. Certain of the active ingredients are novel compounds per se.
    三环哌啶基衍生物在动物宿主内部以治疗有效剂量给药,能产生抗精神病活性,而不会出现锥体外症状。其中一些活性成分是新颖的化合物本身。
  • Xanthene and thioxanthene derivatives, compositions thereof and
    申请人:Kefalas A/S
    公开号:US04285956A1
    公开(公告)日:1981-08-25
    The present invention relates to novel thioxanthene and xanthene derivatives which have useful pharmacodynamic activity, such as neuroleptic activity and antiemetic activity, methods for the preparation of said derivatives, pharmaceutical compositions containing same, and a method for the treatment of psychic disorders by administering a therapeutically active amount of one of said derivatives to a living animal body, including human beings. The new compounds of the present invention correspond to the Formula I: ##STR1## wherein X is a halogen atom, an alkyl group with from one to four carbon atoms inclusive, an alkyloxy group with from one to four carbon atoms inclusive, a methylthio group, a methylsulphonyl group, a dimethylsulfamoyl group, a trifluoromethyl group or an acetyl group; Y is hydrogen, fluorine or a methyl group; Z is oxygen or sulphur; n is an integer from zero to three inclusive, and R is a cycloalkyl group with from four to six carbon atoms inclusive in the ring substituted with from one to four substituents selected from optionally esterified hydroxy- or hydroxymethyl groups, methyl groups, amino groups, acetamido groups, mesylamino groups or oxo groups, a five- or six-: membered saturated heterocyclic ring having one or two heteroatoms selected from oxygen and nitrogen atoms and being optionally substituted with an optionally esterified hydroxy group or oxo group, any esterified hydroxy group present being an ester of an aliphatic carboxylic acid having from ten to twentytwo carbon atoms inclusive, as well as their non-toxic pharmaceutically acceptable acid addition salts with the proviso that methyl is present only when one of the other named substituents is also present.
    本发明涉及新型噻吩和苯氧基衍生物,其具有有用的药理活性,如神经元抑制活性和抗恶心活性,以及制备这些衍生物的方法,含有这些衍生物的制药组合物,以及通过向活体动物体内给予其中一种衍生物的治疗有效剂量来治疗心理障碍的方法,包括人类。本发明的新化合物对应于公式I:##STR1## 其中X是卤素原子,具有1至4个碳原子的烷基,具有1至4个碳原子的烷氧基,甲基硫基,甲基磺酰基,二甲基磺酰胺基,三氟甲基或乙酰基; Y是氢,氟或甲基; Z是氧或硫; n是0至3的整数,R是环中具有4至6个碳原子的环烷基,其被选择自可选的酯化羟基或羟甲基基团,甲基基团,氨基团,乙酰胺基团,甲磺酰氨基团或氧代基团的1至4个取代基所取代,具有1个或2个氧和氮原子的5或6元饱和杂环环,可选地取代具有可选的酯化羟基或氧代基团,存在的任何酯化羟基均为具有10至22个碳原子的脂肪族羧酸的酯,以及它们的无毒药学上可接受的酸加盐,前提是当存在其他命名的取代基之一时,甲基仅存在。
  • Xanthene and thioxanthene derivatives, compositions thereof, and
    申请人:Kefalas A/S
    公开号:US04309429A1
    公开(公告)日:1982-01-05
    The present invention relates to novel thioxanthene and xanthene derivatives which have useful pharmacodynamic activity, such as neuroleptic activity and antiemetic activity, methods for the preparation of said derivatives, pharmaceutical compositions containing same, and a method for the treatment of psychic disorders by administering a therapeutically active amount of one of said derivatives to a living animal body, including human beings. The new compounds of the present invention correspond to the Formula I: ##STR1## wherein X is a halogen atom, an alkyl group with from one to four carbon atoms inclusive, an alkyloxy group with from one to four carbon atoms inclusive, a methylthio group, a methylsulphonyl group, a dimethylsulfamoyl group, a trifluoromethyl group or an acetyl group; Y is hydrogen, fluorine or a methyl group; Z is oxygen or sulphur; n is an integer from zero to three inclusive, and R is a cycloalkyl group with from four to six carbon atoms inclusive in the ring substituted with from one to four substituents selected from optionally esterified hydroxy- or hydroxymethyl groups, methyl groups, amino groups, acetamido groups, mesylamino groups or oxo groups, a five- or six-membered saturated heterocyclic ring having one or two heteroatoms selected from oxygen and nitrogen atoms and being optionally substituted with an optionally esterified hydroxy group or oxo group, any esterified hydroxy group present being an ester of an aliphatic carboxylic acid having from ten to twenty-two carbon atoms inclusive, as well as their non-toxic pharmaceutically acceptable acid addition salts.
    本发明涉及新型噻吩并二氢苯并呋喃衍生物,其具有有用的药理活性,如神经精神药物活性和抗恶心活性,以及制备该衍生物的方法,含有该衍生物的制药组合物,以及通过向生物体内给予其中一种衍生物的治疗有效量来治疗精神障碍的方法,包括人类。本发明的新化合物对应于公式I:##STR1## 其中X是卤素原子、含有1至4个碳原子的烷基、含有1至4个碳原子的烷氧基、甲硫基、甲基磺酰基、二甲基磺酰胺基、三氟甲基基或乙酰基;Y是氢、氟或甲基;Z是氧或硫;n是从零到三的整数,R是环中含有从一到四个取自可选择酯化羟基或羟甲基基团、甲基基团、氨基基团、乙酰胺基团、甲磺酰胺基团或氧基团的取代基的含有四至六个碳原子的环烷基,或含有一个或两个取自氧和氮原子的杂原子的五元或六元饱和杂环,可选择用含有10至22个碳原子的脂肪族羧酸酯的羟基酸酯酸化,任何存在的酯化羟基基团都是非毒性的药用可接受酸盐。
  • Xanthone and thioxanthone derivatives, their preparation and pharmaceutical compositions containing them
    申请人:KEFALAS A/S
    公开号:EP0005607A1
    公开(公告)日:1979-11-28
    Xanthone- and thioxanthone derivatives of the formula: wherein X is a halogen atom, an alkyl group, an alkyloxy group, said alkyl and alkyloxy groups having from one to four carbon atoms inclusive, a methylthio group, a methyl- suphonyl group, a dimethylsulphamoyl group, a trifluoromethyl group, or an acetyl group; Y is hydrogen, fluorine or a methyl group; Z is oxygen or sulphur; n is an integer from zero to three inclusive, and R is a cycloalkyl group with from four to six carbon atoms inclusive in the ring, substituted with from one to four substituents selected from optionally esterified hydroxy- or hydroxymethyl groups, methyl groups, amono groups, acetamino groups, mesylamino groups or oxo groups, a five-or six-membered saturated heterocyclic ring having one or two hetero atoms selected from oxygen and nitrogen atoms and being optionally substituted with an optionally esterified hydroxy group, any esterified hydroxy group present being an ester of an aliphatic carboxylic acid having from ten to twentytwo carbon atoms inclusive, or an oxo group, as well as their non-toxic pharmaceutically acceptable acid addition salts. Methods for the preparation of compounds of Formula I and novel intermediates used in said methods. The novel compounds of Formula I having strong, and sometimes very long-lasting neuroleptic effects, at the same time showing relatively low extrapyrimidal side effects, a low acute toxicity and moderately strong anticholinergic effects and comparatively low undesired sedative effects.
    式中的氧雜蔥酮和硫雜蔥酮衍生物: 其中 X 是卤素原子、烷基、烷氧基(烷基和烷氧基的碳原子数从 1 个到 4 个不等)、甲硫基、甲上酰基、二甲基氨基磺酰基、三氟甲基或乙酰基; Y 是氢、氟或甲基 Z 是氧或硫; n 是 0 至 3(包括 3)的整数,且 R 是环烷基,在环中有 4 至 6 个碳原子,被 1 至 4 个取代基取代,这些取代基可选 自经酯化的羟基或羟甲基、甲基、氨基、乙酰氨基、间氨基或氧代基、五元或六元饱和杂环,具有一个或两个选自氧原子和氮原子的杂原子,并被任选的酯化羟基取代,其中任何酯化羟基均为具有 10 至 22 个碳原子(含)的脂肪族羧酸的酯或氧代基团,以及它们的无毒药学上可接受的酸加成盐。 式 I 化合物的制备方法以及用于上述方法的新型中间体。 式 I 的新型化合物具有较强的,有时是非常持久的神经安定作用,同时显示出相对较低的嘧啶外副作用、较低的急性毒性和中等强度的抗胆碱能作用,以及相对较低的不期望的镇静作用。
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