4,4,4-三苯基-1-丁醇 | 16778-07-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 4,4,4-三苯基-1-丁醇
• 英文名称: 4,4,4-Triphenyl-1-butanol
• 英文别名: 4,4,4-Triphenylbutan-1-ol；4,4,4-triphenyl butanol；4,4,4-triphenylbutanol；4,4,4-Triphenyl-butanol-(1)；1-Trityl-propanol-(3)
• CAS: 16778-07-7
• 化学式: C₂₂H₂₂O
• 分子量: 302.416
• InChiKey: UIINPOSBGMTBLC-UHFFFAOYSA-N

物化性质

• 熔点：
  120-122 °C
• 沸点：
  472.9±44.0 °C(Predicted)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  4,4,4-三苯基-1-丁醇 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以89%的产率得到4,4,4-triphenylbutanal
  参考文献：
  名称：

  Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity

  摘要：

  The human mitotic kinesin Eg5 represents a novel mitotic spindle target for cancer chemotherapy. We previously identified S-trityl-L-cysteine (STLC) and related analogues as selective potent inhibitors of Eg5. We herein report on the development of a series of 4,4,4-triphenylbutan-1-amine inhibitors derived from the STLC scaffold. This new generation systematically improves on potency: the most potent C-trityl analogues exhibit K-i(aPP) <= 10 nM and GI(50) approximate to 50 nM, comparable to results from the phase II clinical benchmark ispinesib. Crystallographic studies reveal that they adopt the same overall binding configuration as S-trityl analogues at an allosteric site formed by loop L5 of Eg5. Evaluation of their druglike properties reveals favorable profiles for future development and, in the clinical candidate ispinesib, moderate hERG and CYP inhibition. One triphenylbutanamine analogue and ispinesib possess very good bioavailability (51% and 45%, respectively), with the former showing in vivo antitumor growth activity in nude mice xenograft studies.

  DOI：

  10.1021/jm201195m
• 作为产物：
  描述：

  4,4,4-三苯基-1-丁烯 在 sodium tetrahydroborate 、 硫酸 、 双氧水 、 sodium hydroxide 作用下， 以 乙醚 、 二乙二醇二甲醚 、 水 为溶剂， 反应 11.83h， 生成 4,4,4-三苯基-1-丁醇
  参考文献：
  名称：

  Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity

  摘要：

  The human mitotic kinesin Eg5 represents a novel mitotic spindle target for cancer chemotherapy. We previously identified S-trityl-L-cysteine (STLC) and related analogues as selective potent inhibitors of Eg5. We herein report on the development of a series of 4,4,4-triphenylbutan-1-amine inhibitors derived from the STLC scaffold. This new generation systematically improves on potency: the most potent C-trityl analogues exhibit K-i(aPP) <= 10 nM and GI(50) approximate to 50 nM, comparable to results from the phase II clinical benchmark ispinesib. Crystallographic studies reveal that they adopt the same overall binding configuration as S-trityl analogues at an allosteric site formed by loop L5 of Eg5. Evaluation of their druglike properties reveals favorable profiles for future development and, in the clinical candidate ispinesib, moderate hERG and CYP inhibition. One triphenylbutanamine analogue and ispinesib possess very good bioavailability (51% and 45%, respectively), with the former showing in vivo antitumor growth activity in nude mice xenograft studies.

  DOI：

  10.1021/jm201195m

文献信息

• MELANIN PRODUCTION INHIBITOR
  申请人：Yokoyama Kouji

  公开号：US20110243865A1

  公开（公告）日：2011-10-06

  Disclosed is a melanin production inhibitor which has an excellent inhibitory activity on the production of melanin and is highly safe. The melanin production inhibitor comprises a compound represented by general formula (1) (excluding clotrimazole), and/or a pharmacologically acceptable salt thereof. In the formula, A1, A2 and A3 are independently selected from a hydrogen atom, an aryl group which may have a substituent, and an aromatic heterocyclic group which may have a substituent, wherein at least one of A1, A2 and A3 is selected from the aryl group and the aromatic heterocyclic group, the total number of carbon atoms contained in A1, A2 and A3 is 6 to 50 and, when at least two of A1, A2 and A3 represent the aryl groups or the aromatic heterocyclic groups, the adjacent two aryl or aromatic heterocyclic groups may be bound to each other via an alkyl chain or an alkenyl chain to form a ring; m represents an integer of 0 to 2; X represents a hetero atom, a hydrogen atom, or a carbon atom; R1 and R2 are independently selected from a hydrogen atom and an oxo group, wherein when one of R1 and R2 is an oxo group, the other is not present; and R3 is selected from a hydrogen atom, and a C 1-8 hydrocarbon group in which one or some of hydrogen atoms or carbon atoms may be substituted by a hetero atom or hetero atoms, wherein the number of R3's present in the compound corresponds to the number of X's and, when two or more R3's are present, the R3's are independently present and the adjacent two R3's may be bound to each other to form, together with X, a ring, and the terminal of R3 may be bound to a carbon atom to which A1, A2 and A3 are bound, thereby forming a ring.

  披露了一种黑色素生产抑制剂，它对黑色素的生产具有出色的抑制活性且高度安全。该黑色素生产抑制剂包括由通用公式（1）表示的化合物（不包括克霉唑）和/或其药理上可接受的盐。在公式中，A1、A2和A3独立地选自氢原子、可能带有取代基的芳基团和可能带有取代基的芳香杂环团，其中至少A1、A2和A3之一选自芳基团和芳香杂环团，A1、A2和A3中包含的碳原子总数为6至50，并且当至少两个A1、A2和A3表示芳基团或芳香杂环团时，相邻的两个芳基或芳香杂环团可以通过烷基链或烯基链相互连接形成环；m代表0至2的整数；X代表异原子、氢原子或碳原子；R1和R2独立地选自氢原子和氧代基，其中当R1和R2之一是氧代基时，另一个不出现；R3选自氢原子和C 1-8 碳氢化合物组，其中一些或所有的氢原子或碳原子可能被异原子或异原子取代，其中化合物中存在的R3的数量对应于X的数量，并且当存在两个或更多R3时，R3独立地存在，并且相邻的两个R3可以相互连接以与X一起形成环，并且R3的末端可以与A1、A2和A3连接的碳原子结合，从而形成环。
• COATING AGENT
  申请人：Nippon Soda Co., Ltd.

  公开号：US20150353738A1

  公开（公告）日：2015-12-10

  It is an object to provide a coating agent that can form a layer having excellent adhesiveness to a plastic substrate and having transparency and a high refractive index. The coating agent of the present invention comprises a compound represented by formula (I) [wherein A represents a phenyl group or a naphthyl group optionally having an electron-donating group as a substituent; Z represents a carbon atom or a silicon atom, R 2 represents a hydrogen atom, a hydroxyl group, a linear or branched alkyl group, a linear or branched alkoxy group, a cyclic alkyl group, or a cyclic alkoxy group, X represents a single bond; an alkylene group optionally comprising an oxygen atom, a sulfur atom, a selenium atom, —NR—, a divalent aliphatic ring group, an arylene group, an amide structure or a urethane structure; a divalent aliphatic ring group; or an arylene group, Y represents a polymerizable functional group, n represents an integer of 2 or 3, m represents an integer of 1 or 2, l represents an integer of 0 or 1, and n+m+l=4; and when n represents an integer of 2 or 3, A is the same or different].

  本发明旨在提供一种涂层剂，该涂层剂能够形成与塑料基材具有良好粘附性、透明度和高折射率的层。本发明的涂层剂包括由式（I）表示的化合物[其中A表示苯基或萘基，可选地具有电子给体基团作为取代基；Z表示碳原子或硅原子，R2表示氢原子、羟基、线性或支链烷基、线性或支链烷氧基、环状烷基或环状烷氧基；X表示单键；一种包括氧原子、硫原子、硒原子、-NR-、二价脂肪环基、芳基环或酰胺结构或脲结构的烷基链可选地包括的烷基链；二价脂肪环基；或芳基环；Y表示可聚合的功能基团，n表示2或3的整数，m表示1或2的整数，l表示0或1的整数，且n+m+l=4；当n表示2或3的整数时，A相同或不同]。
• Dutpase Inhibitors
  申请人：Gilbert Ian

  公开号：US20080300216A1

  公开（公告）日：2008-12-04

  Deoxyuridine derivatives of Formula (I′); where A is O, S or CH 2 ; B is O, S or CHR 3 ; R 1 is H, or various substituents; R 2 is H, F; R 3 is H, F, OH, NH 2 ; or R 2 and R 3 together form a chemical bond; D is —NHCO—, —CONH—, —O—, —C(═O)—, —CH═CH, —C≡C—, —NR 5 —; R 4 is hydrogen or various substituents; R 5 is H, C 1 -C 4 alkyl, C 1 -C 4 alkanoyl; E is Si or C; R 6 , R 7 and R 8 are independently selected from C 1 -C 8 alkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkynyl, or a stable monocyclic, bicyclic or tricyclic ring system have utility in the prophylaxis of treatment of parasitic diseases such as malaria.

  化合物（I'）的脱氧尿嘧啶衍生物；其中A为O、S或CH2；B为O、S或CHR3；R1为H或各种取代基；R2为H、F；R3为H、F、OH、NH2；或R2和R3共同形成化学键；D为-NHCO-、-CONH-、-O-、-C（═O）-、-CH═CH、-C≡C-、-NR5-；R4为氢或各种取代基；R5为H、C1-C4烷基、C1-C4酰基；E为Si或C；R6、R7和R8分别选择自C1-C8烷基、C2-C8烯基、C2-C8炔基或稳定的单环、双环或三环环系统，在预防或治疗疟疾等寄生虫病方面具有用途。
• DUTPASE INHIBITORS
  申请人：Gilbert Ian

  公开号：US20100075924A1

  公开（公告）日：2010-03-25

  Deoxyuridine derivatives of the formula where A is O, S or CH 2 ; B is O, S or CHR 3 ; R 1 is H, or various substituents; R 2 is H, F; R 3 is H, F, OH, NH 2 ; or R 2 and R 3 together form a chemical bond; D is —NHCO—, —CONH—, —O—, —C(═O)—, —CH═CH, —C ═ C—, —NR 5 —; R 4 is hydrogen or various substituents; R 5 is H, C 1 -C 4 alkyl, C 1 -C 4 alkanoyl; E is Si or C; R 6 , R 7 and R 8 are independently selected from C 1 -C 8 alkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkynyl, or a stable monocyclic, bicyclic or tricyclic ring system have utility in the prophylaxis o treatment of parasitic diseases such as malaria

  Deoxyuridine衍生物的公式为： 其中A为O、S或CH2；B为O、S或CHR3；R1为H或各种取代基；R2为H、F；R3为H、F、OH、NH2；或R2和R3共同形成化学键；D为—NHCO—、—CONH—、—O—、—C(═O)—、—CH═CH、—C═C—、—NR5—；R4为氢或各种取代基；R5为H、C1-C4烷基、C1-C4酰基；E为Si或C；R6、R7和R8分别选自C1-C8烷基、C2-C8烯基、C2-C8炔基或稳定的单环、双环或三环环系统。 具有预防或治疗疟疾等寄生虫病的功效。
• Coating agent
  申请人：NIPPON SODA CO., LTD.

  公开号：US10947393B2

  公开（公告）日：2021-03-16

  It is an object to provide a coating agent that can form a layer having excellent adhesiveness to a plastic substrate and having transparency and a high refractive index. The coating agent of the present invention comprises a compound represented by formula (I) [wherein A represents a phenyl group or a naphthyl group optionally having an electron-donating group as a substituent; Z represents a carbon atom or a silicon atom, R2 represents a hydrogen atom, a hydroxyl group, a linear or branched alkyl group, a linear or branched alkoxy group, a cyclic alkyl group, or a cyclic alkoxy group, X represents a single bond; an alkylene group optionally comprising an oxygen atom, a sulfur atom, a selenium atom, —NR—, a divalent aliphatic ring group, an arylene group, an amide structure or a urethane structure; a divalent aliphatic ring group; or an arylene group, Y represents a polymerizable functional group, n represents an integer of 2 or 3, m represents an integer of 1 or 2, l represents an integer of 0 or 1, and n+m+l=4; and when n represents an integer of 2 or 3, A is the same or different].

  本发明的目的是提供一种涂层剂，该涂层剂可在塑料基材上形成一层具有良好粘合性的涂层，并且具有透明度和高折射率。本发明的涂层剂包括由式（I）代表的化合物[其中 A 代表苯基或萘基，可选具有一个电子馈赠基团作为取代基；Z 代表碳原子或硅原子；R2 代表氢原子、羟基、直链或支链烷基、直链或支链烷氧基、环状烷基或环状烷氧基；X 代表单键；可选包含氧原子、硫原子、硒原子、-NR-、二价脂肪族环基、芳烯基、酰胺结构或聚氨酯结构的亚烷基； 二价脂肪族环基；或芳基，Y 代表可聚合官能团，n 代表 2 或 3 的整数，m 代表 1 或 2 的整数，l 代表 0 或 1 的整数，且 n+m+l=4 ；当 n 代表 2 或 3 的整数时，A 相同或不同]。