1-(4-氯苯基)环己烷羧酸氯 | 82278-04-4

• 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-氯苯基)环己烷羧酸氯
• 英文名称: 1-(4-chlorophenyl)cyclohexanecarbonyl chloride
• 英文别名: 1-(4-Chlorophenyl)cyclohexanecarboxylic acid chloride；1-(4-chlorophenyl)cyclohexane-1-carbonyl chloride
• CAS: 82278-04-4
• 化学式: C₁₃H₁₄Cl₂O
• 分子量: 257.16
• InChiKey: OEPXUQLGROHFFY-UHFFFAOYSA-N

物化性质

• 沸点：
  333.2±35.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  1-(4-氯苯基)环己烷羧酸氯 、 methyl 4-({[4-(3,5-bis{[bis(pyridin-2-ylmethyl)amino]methyl}phenoxy)butyl]amino}methyl)benzoate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以90%的产率得到methyl 4-[([4-(3,5-bis{[bis(pyridin-2-ylmethyl)amino]methyl}phenoxy)butyl]{[1-(4-chlorophenyl)cyclohexyl]carbonyl}amino)methyl]benzoate
  参考文献：
  名称：

  POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES

  摘要：

  以下是化学式（I）的化合物以及含有其中一种化合物的药物组合物：这里定义了每个变量。还披露了一种使用化合物（I）治疗与细胞生长失控相关症状的方法。

  公开号：

  US20210403483A1
• 作为产物：
  描述：

  1-(4-氯苯基)环己烷-1-羧酸 在 氯化亚砜 作用下， 反应 1.0h， 生成 1-(4-氯苯基)环己烷羧酸氯
  参考文献：
  名称：

  WO2008/76427

  摘要：

  公开号：

文献信息

• [EN] CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UNE LIAISON ESTER OU CETONE, UTILISES COMME INHIBITEURS DE L'HISTONE DESACETYLASE
  申请人：TOPOTARGET UK LTD

  公开号：WO2004065354A1

  公开（公告）日：2004-08-05

  This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently: -O-C(=O)- or -C(=O)-O- or - C(=O)-; Cy is a cyclyl group and is independently: C3-20carbocyclyl, C3-20heterocyclyl, or C5-20aryl; and is optionally substituted; Q1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q2 is an acid leader group, and is independently: C1-8alkylene; and is optionally substituted; or: Q2 is an acid leader group, and is independently: C5-20arylene; C5-20arylene-C1-7alkylene; C1-7alkylene-C5-20arylene; or C1-7alkylene-C5-20arylene-C1-7alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC,and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  这项发明涉及某些具有以下式(I)的氨甲酸化合物，其抑制HDAC（组蛋白去乙酰化酶）活性：其中：J是一个连接的功能基团，独立地为：-O-C(=O)-或-C(=O)-O-或-C(=O)-；Cy是一个环烷基团，独立地为：C3-20碳环烷基、C3-20杂环烷基或C5-20芳基；并且可以选择性地被取代；Q1是一个环烷基领头基团，独立地是通过从具有4至7个环原子的饱和单环碳氢化合物的环碳原子中去除两个氢原子获得的双价双齿基团，或者通过从具有4至7个环原子，包括1个氮环原子或1个氧环原子的饱和单环杂环化合物的环碳原子中去除两个氢原子获得的双价双齿基团；并且可以选择性地被取代；Q2是一个酸领头基团，独立地为：C1-8烷基烯；并且可以选择性地被取代；或者：Q2是一个酸领头基团，独立地为：C5-20芳基烯；C5-20芳基烯-C1-7烷基烯；C1-7烷基烯-C5-20芳基烯；或C1-7烷基烯-C5-20芳基烯-C1-7烷基烯；并且可以选择性地被取代；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包括这种化合物的药物组合物，以及在体内外使用这种化合物和组合物来抑制HDAC，并用于治疗由HDAC介导的疾病、癌症、增殖性疾病、牛皮癣等。
• POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES
  申请人：National Health Research Institutes

  公开号：US20210403483A1

  公开（公告）日：2021-12-30

  Compounds of Formula (I) shown below and a pharmaceutical composition containing one of the compounds: Each of the variables is defined herein. Also disclosed is a method of treating a condition associated with uncontrolled cell growth with a compound of Formula (I).

  以下是化学式（I）的化合物以及含有其中一种化合物的药物组合物：这里定义了每个变量。还披露了一种使用化合物（I）治疗与细胞生长失控相关症状的方法。
• DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES
  申请人：National Health Research Institutes

  公开号：US20150336976A1

  公开（公告）日：2015-11-26

  Dipicolylamine compounds of Formula (I) set forth herein. Also disclosed are pharmaceutical compositions containing metal ions and these compounds. Further disclosed is a method for treating a condition associated with cells containing inside-out phosphatidylserine, with these compounds.

  本文介绍了公式（I）中的二吡啶胺化合物。还披露了含有金属离子和这些化合物的药物组合物。此外，还披露了一种使用这些化合物治疗与细胞内含有胞外磷脂酰丝氨酸相关的疾病的方法。
• Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors
  申请人：Finn W Paul

  公开号：US20060058282A1

  公开（公告）日：2006-03-16

  This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently: —O—C(═O)— or —C(═O)—O— or —C(═O)—; Cy is a cyclyl group and is independently: C 3-20 carbocyclyl, C 3-20 heterocyclyl, or C 5-20 aryl; and is optionally substituted; Q 1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q 2 is an acid leader group, and is independently: C 1-8 alkylene; and is optionally substituted; or: Q 2 is an acid leader group, and is independently: C 5-20 arylene; C 5-20 arylene-C 1-7 alkylene; C 1-7 alkylene-C 5-20 arylene; or C 1-7 alkylene-C 5-20 arylene-C 1-7 alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  该发明涉及一类具有以下式子(I)的碳酰胺化合物，其抑制HDAC（组蛋白去乙酰化酶）活性：其中：J是连接功能基团，独立地为：—O—C(═O)—或—C(═O)—O—或—C(═O)—；Cy是环基团，独立地为：C3-20碳环基、C3-20杂环基或C5-20芳基；并且可以选择性地被取代；Q1是环基领导基团，独立地为从具有4至7个环原子的饱和单环烃或包括1个氮环原子或1个氧环原子的饱和单环杂环化合物的环碳原子上去除两个氢原子而得到的二价双齿基团；并且可以选择性地被取代；Q2是酸基领导基团，独立地为：C1-8烷基；并且可以选择性地被取代；或：Q2是酸基领导基团，独立地为：C5-20芳基、C5-20芳基-C1-7烷基、C1-7烷基-C5-20芳基或C1-7烷基-C5-20芳基-C1-7烷基；并且可以选择性地被取代；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这样的化合物的制药组合物，以及这样的化合物和组合物的使用，无论是在体外还是体内，用于抑制HDAC，以及用于治疗由HDAC介导的疾病，如癌症、增生性疾病、牛皮癣等。
• Targeting the Phosphatidylserine-Immune Checkpoint with a Small-Molecule Maytansinoid Conjugate
  作者：Chen-Fu Lo、Tai-Yu Chiu、Yu-Tzu Liu、Pei-Yun Pan、Kuan-Liang Liu、Chia-Yu Hsu、Ming-Yu Fang、Yu-Chen Huang、Teng-Kuang Yeh、Tsu-An Hsu、Chiung-Tong Chen、Li-Rung Huang、Lun Kelvin Tsou

  DOI：10.1021/acs.jmedchem.2c00631

  日期：2022.10.13

  demonstrated that conjugate 40a not only induced lasting regression of tumor growth, but it also rejuvenated the once immunosuppressive tumor microenvironment to an “inflamed hot tumor” with significant elevation of gene expressions that were not accessible in the vehicle-treated tumor. In turn, the immune checkpoint-targeting small molecule drug conjugate from this work represents a new pharmacodelivery

  在这个精准医学时代，配体靶向给药系统在疾病治疗方面取得了重大进展，并获得了众多临床批准。在此，我们报告了一类基于小分子的免疫检查点靶向美登木素偶联物。从配体靶向能力、药代动力学分析、体内抗胰腺癌、三阴性乳腺癌和索拉非尼耐药性肝癌的功效以及对治疗肿瘤组织的定量 mRNA 分析，我们证明了缀合物40a它不仅诱导了肿瘤生长的持久消退，而且还将曾经免疫抑制的肿瘤微环境恢复为“发炎的热肿瘤”，其基因表达显着升高，而在载体治疗的肿瘤中是无法获得的。反过来，这项工作的免疫检查点靶向小分子药物偶联物代表了一种新的药物递送策略，可以通过与现有免疫肿瘤治疗方案的联合治疗进行扩展。