(4-chlorophenyl)(2,4-dichlorophenyl)methanol | 83580-88-5

• 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-chlorophenyl)(2,4-dichlorophenyl)methanol
• 英文别名: 2,4,4'-trichlorobenzhydrol；(RS)-(4-chlorophenyl)(2,4-dichlorophenyl)methanol；α-(4-chlorophenyl)-2,4-dichlorobenzyl alcohol；(4-chlorophenyl)-(2,4-dichlorophenyl)methanol
• CAS: 83580-88-5
• 化学式: C₁₃H₉Cl₃O
• 分子量: 287.573
• InChiKey: LLELCYHOZXLHTP-UHFFFAOYSA-N

物化性质

• 沸点：
  409.7±40.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-chlorophenyl)(2,4-dichlorophenyl)methanol 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 2,4,4'-trichloro-benzhydryl chloride
  参考文献：
  名称：

  Design, synthesis and biological evaluation of piperazine analogues as CB1 cannabinoid receptor ligands

  摘要：

  After the CB1 receptor antagonist SR141716 (rimonabant) was previously reported to modulate food intake, CB1 antagonism has been considered as a new therapeutic target for the treatment of obesity. Several series of urea, carbamate, amide, sulfonamide and oxalamide derivatives based on 1-benzhydrylpiperazine scaffold were synthesized and tested for CB1 receptor binding affinity. The SAR studies to optimize the CB1 binding affinity led to the potent urea derivatives. After the additional SAR studies to optimize the substituents of diphenyl rings, the combination of 2-chlorophenyl and 4-chlorophenyl turned out to be the most potent scaffold. The CB2 binding affinity assay as well as functional assay was also conducted on these compounds. Herein we wish to introduce several novel CB1 antagonists with IC50 values less than 100 nM for the CB1 receptor binding. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.01.023
• 作为产物：
  描述：

  (4-氯苯基)(2,4-二氯苯基)甲酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 (4-chlorophenyl)(2,4-dichlorophenyl)methanol
  参考文献：
  名称：

  联苯苄唑衍生物的合成、抗菌和抗真菌活性

  摘要：

  合成了两个系列的氯化二苯甲基咪唑和三唑衍生物，并针对强致病菌的代表性菌株（金黄色葡萄球菌 CIP 4.83、伊氏埃希氏菌 CIP 5855、铜绿假单胞菌 CIP 82118、大肠杆菌CIP 和真菌 IP 53126）进行了体外测试白色念珠菌 IP 48.72、克柔念珠菌 IP 208.52、红色毛癣菌 IP 1657.86)。这些化合物中的大多数没有任何抗菌活性，但其中一些抑制红色毛癣菌的 MIC 值在 0.125 至 32 µg/mL 范围内，类似于或优于联苯苄唑和克霉唑，用作标准对照。在这些化合物中用三唑部分取代咪唑环导致抗真菌活性较低的衍生物。

  DOI：

  10.1002/ardp.201000304

文献信息

• [EN] AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS<br/>[FR] DERIVES AZETIDINECARBOXAMIDE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES A MEDIATION DU RECEPTEUR DU CB1
  申请人：VERNALIS RES LTD

  公开号：WO2004096794A1

  公开（公告）日：2004-11-11

  Compounds of formula (I) and their use in therapy, particularly for the treatment of a disorder mediated by CB1 receptors, such as obesity, wherein: R1 is aryl or heteroaryl; R2 is alkyl, aryl or heteroaryl; R3 is alkyl, aryl, heteroaryl, NR9R10, OR 15, or NR 16C(O)R17; Y is C=O, C=S, SO2, or (CR7R8)p; m = 1 or 2; n = 1 or 2; and p=1,2,3 or 4, R7 to R17 being as defined in the specification; wherein if -Y-R3 is -C(O)NH(alkyl) then: R1 and/or R2 is selected from heteroary1; and/or m and/or n is 2; and/or R11 and/or R12 is lower alkyl, or a pharmaceutically acceptable salt or prodrug thereof.

  化合物的化学式（I）及其在治疗中的应用，特别是用于治疗由CB1受体介导的疾病，如肥胖，其中：R1为芳基或杂环芳基；R2为烷基，芳基或杂环芳基；R3为烷基，芳基，杂环芳基，NR9R10，OR 15，或NR 16C(O)R17；Y为C=O，C=S，SO2，或（CR7R8）p；m = 1或2；n = 1或2；p=1,2,3或4，R7到R17如规范中定义；其中如果-Y-R3为-C(O)NH(烷基)则：R1和/或R2从杂芳基中选择；和/或m和/或n为2；和/或R11和/或R12为较低烷基，或其药用盐或前药。
• [EN] AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS<br/>[FR] DERIVES D'AZETIDINECARBOXAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES MEDIES PAR LES RECEPTEUR CB1
  申请人：VERNALIS RES LTD

  公开号：WO2004096763A1

  公开（公告）日：2004-11-11

  Compounds of formula (I) and their use in therapy, particularly for the treatment of a disorder mediated by CB1 receptors such as obesity: Formuila (I) wherein: R1 and R2 are independently selected from aryl; and R3 is hydrogen or alkyl; or a pharmaceutically acceptable salt or prodrug thereof, wherein at least one of R1 and R2 has a non-hydrogen substituent in the ortho-position(s) thereof relative to the point of attachment to the [-CH-0-] group.

  式(I)化合物及其在治疗中的应用，特别用于治疗由CB1受体介导的疾病，如肥胖症：式(I)中：R1和R2各自独立地选自芳基；R3为氢或烷基；或其药学上可接受的盐或前药，其中R1和R2中至少一个在相对于与[-CH-0-]基团连接点的邻位上具有非氢取代基。
• Azetidine derivatives, their preparation and medicaments containing them
  申请人：——

  公开号：US20020035102A1

  公开（公告）日：2002-03-21

  The invention concerns compounds of formula (1) wherein: R represents a chain (A) or (B); R 1 is methyl or ethyl; R 2 is either an optionally substituted aromatic or an optionally substituted heteroaromatic ring; R 3 and R 4 , identical or different, are either an optionally substituted aromatic or an optionally substituted heteroaromatic ring; R′ represents a hydrogen atom or a —CO—alk radical, their optical isomers, their salts, their preparation and medicines containing them. 1

  本发明涉及通式(1)的化合物，其中：R代表链(A)或(B)；R1是甲基或乙基；R2是可任选取代的芳香环或可任选取代的杂芳香环；R3和R4，相同或不同，是可任选取代的芳香环或可任选取代的杂芳香环；R′代表氢原子或—CO—烷基，它们的光学异构体，它们的盐，它们的制备方法以及含有它们的药物。
• Anti-microbial diazole derivatives
  申请人：Sankyo Company Limited

  公开号：US04421758A1

  公开（公告）日：1983-12-20

  Compounds of formula (I): ##STR1## [wherein: Q represents a .dbd.CH-- group or a nitrogen atom; R.sup.1 represents a methylene group, a group of formula --CH.sub.2 CH(R.sup.3)--OCH.sub.2 -- (R.sup.3 being a substituted or unsubstituted phenyl group) or a group of formula --(CH.sub.2).sub.n --CH(R.sup.4)--O-- (n being 1 or 2 and R.sup.4 being a substituted or unsubstituted phenyl or phenylalkyl group); and A represents a group of formula --OR.sup.2 (R.sup.2 being an alkenyl group, an alkynyl group or a substituted or unsubstituted alkyl or phenyl group) or a group of formula --CH.sub.2 --XR.sup.11 (X being an oxygen or sulphur atom and R.sup.11 being an aryl or aralkyl group or, when X represents an oxygen atom, R.sup.11 being a hydrogen atom or a carbonyloxy or sulphonyloxy group) and acid addition salts and metal complexes thereof are valuable antimicrobial agents having low toxicity to humans and other animals and are especially valuable for the eradication of fungi.

  化合物的化学式（I）：##STR1##【其中：Q代表.dbd.CH-基团或氮原子；R.sup.1代表亚甲基基团，化学式为--CH.sub.2 CH（R.sup.3）--OCH.sub.2 --（R.sup.3为取代或未取代苯基）或化学式为--（CH.sub.2）.sub.n --CH（R.sup.4）--O--（n为1或2，R.sup.4为取代或未取代苯基或苯基烷基基团）；A代表化学式--OR.sup.2（R.sup.2为烯基基团、炔基基团或取代或未取代烷基或苯基基团）或化学式--CH.sub.2 --XR.sup.11（X为氧原子或硫原子，R.sup.11为芳基或芳基烷基基团或当X代表氧原子时，R.sup.11为氢原子或羰氧基或磺酰氧基团），其酸盐和金属络合物是具有低毒性对人类和其他动物有价值的抗菌剂，特别适用于灭菌真菌。
• Acetindine derivatives, their preparation and medicaments containing them
  申请人：——

  公开号：US20030162808A1

  公开（公告）日：2003-08-28

  Disclosed are azetidine derivatives of formula: 1 their optical isomers, their salts, their preparation and medicaments containing them.

  本发明涉及一种公开的式（1）的氮杂环丙烷衍生物，其光学异构体，其盐，其制备方法以及含有它们的药物。