(2,2,2-trichloroethyl)phosphorochloridate | 116531-40-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: (2,2,2-trichloroethyl)phosphorochloridate
• 英文别名: Chloro(2,2,2-trichloroethoxy)phosphinic acid
• CAS: 116531-40-9
• 化学式: C₂H₃Cl₄O₃P
• 分子量: 247.83
• InChiKey: ZZWOEUZXZBOYNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-2-(3,4-dimethoxyphenyl)-3-(4-β-D-glucopyranosylphenyl)-acrylonitrile 、 (2,2,2-trichloroethyl)phosphorochloridate 在 吡啶 作用下， 反应 2.0h， 生成
  参考文献：
  名称：

  EP1591117

  摘要：

  公开号：

文献信息

• Breast cancer resistance protein (bcrp) inhibitor
  申请人：Yamazaki Ryuta

  公开号：US20060128636A1

  公开（公告）日：2006-06-15

  The invention provides a drug which inhibits BCRP. A breast cancer resistance protein inhibitor containing, as an active ingredient, a diphenylacrylonitrile derivative represented by the following formula (1): [wherein, each of 8 R's, which are the same or different from one another, represents a hydrogen atom, a hydroxyl group, a nitro group, an amino group, an acetylamino group (—NHCOCH 3 group); a cyano group (—CN group); a formyl group (—CHO group), —COOR 1 (R 1 is hydrogen or C1-C4 alkyl), —O(CH 2 ) n COOR 2 (n=1−7: R 2 is hydrogen or C1-C4 alkyl), —OOCCH 2 CH 2 COOR 3 (R 3 is hydrogen, C1-C4 alkyl, (Z)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile, or glycopyranosyl), a C1-C8 alkoxy group, a C1-C4 alkyl group, a halogen atom, a C1-C4 alkoxy C1-C4 alkoxy C1-C4 alkoxy group, a C2-C8 acyloxy group, a C2-C8 halogenoacyloxy group, a methylenedioxy group, a trifluoromethyl group, a phosphate group (i.e., —OP(O) (OH) 2 ) or a salt thereof, a sulfate group (i.e., —OSO 3 H) or a salt thereof, a glycopyranosyl group or a salt thereof, a phosphate ester of a glycopyranosyl group or a salt of the ester, a sulfate ester of a glycopyranosyl group or a salt of the ester, or a piperidinopiperidinocarbonyloxy group], an ester thereof, or a salt thereof.

  本发明提供了一种抑制BCRP的药物。一种含有以下式（1）所表示的二苯乙烯腈衍生物作为活性成分的乳腺癌耐药蛋白抑制剂：[其中，8个R分别表示氢原子、羟基、硝基、氨基、乙酰氨基（—NHCOCH3基）、氰基（—CN基）、甲酰基（—CHO基）、—COOR1（R1为氢或C1-C4烷基）、—O（CH2）nCOOR2（n = 1-7：R2为氢或C1-C4烷基）、—OOC COOR3（R3为氢、C1-C4烷基、（Z）-2-（3,4-二甲氧基苯基）-3-（4-羟基苯基）-丙烯腈或葡萄糖基）、C1-C8烷氧基、C1-C4烷基、卤原子、C1-C4烷氧基C1-C4烷氧基C1-C4烷氧基、C2-C8酰氧基、C2-C8卤代酰氧基、亚甲二氧基基团、三氟甲基基团、磷酸酯基团（即—OP（O）（OH）2）或其盐、硫酸酯基团（即—OSO3H）或其盐、葡萄糖基或其盐、葡萄糖基的磷酸酯或酯的盐、葡萄糖基的硫酸酯或酯的盐，或者是它的酯或盐。
• Process for the preparation of myoinositol derivatives
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0262227A1

  公开（公告）日：1988-04-06

  Myoinositol phosphates and salts thereof represented by general formula (I) and process for their preparation. The myoinositol derivatives are prepared by reacting a phosphorylating agent with a myoinositol derivative wherein sites other than those to be substituted by phosphate residues are substituted by a substituent capable of being eliminated by catalytic reduction, and subjecting the product to catalytic reduction.

  由通式(I)表示的肌醇磷酸盐及其盐类以及它们的制备方法。肌醇衍生物的制备方法是将磷酸化剂与肌醇衍生物反应，其中磷酸残基取代的位点以外的位点被能够通过催化还原消除的取代基取代，然后将产物进行催化还原。
• Benzoate derivatives of taxol
  申请人：Bristol-Myers Squibb Company

  公开号：EP0569281A1

  公开（公告）日：1993-11-10

  This invention relates to a compound of formula I or a pharmaceutically acceptable salt thereof, in which    R² is a radical of the formula or    in which Ra and Rb are independently hydrogen or C₁₋₆ alkyl, said C₁₋₆ alkyl being optionally substituted with hydroxy, phosphono, phosphonooxy, carboxy or di(C₁₋₆alkyl)amino; or NRaRb together represents a radical of the formula in which y is one to three, and Ra is as defined above; Rp and Rr are independently same or different C₁₋₆ alkyl;    R¹ is hydrogen or a radical Z of the formula or    in which    Q is -(CH₂)f-, optionally substituted with one to six same or different C₁₋₆ alkyl or C₃₋₆ cycloalkyl, or a carbon atom of said -(CH₂)f- radical may also be a part of C₃₋₆ cycloalkylidene;    R³ and R⁴ are independently hydrogen or C₁₋₆ alkyl, or R³ and R⁴ taken together with the carbon atom to which they are attached form C₃₋₆ cycloalkylidene;    R⁵ is -OC(=O)R, -OP=O(OH)₂ or -CH₂OP=O(OH)₂, in which R is C₁₋₆ alkyl;    R⁶, R⁷, R⁸ and R⁹ are independently halogen, C₁₋₆ alkyl, C₁₋₆ alkoxy or hydrogen, but when R⁵ is -OC(=O)R, one of R⁶, R⁷, R⁸ or R⁹ is -OP=O(OH)₂; f is 2 to 6;    n is O, and m is 1 or 0 when R⁵ is -CH₂OP=O(OH)₂; and n is 1 or 0, and m is 1 when R⁵ is -OC(=O)R or -OP=O(OH)₂. Also provided by this invention are pharmaceutical formulations and a method for treating mammalian tumors with a compound of formula I.

  本发明涉及一种式 I 的化合物 或其药学上可接受的盐，其中 R² 是式中的一个基团 或 其中 Ra 和 Rb 独立地为氢或 C₁₋₆烷基，所述 C₁₋₆烷基可任选被羟基、膦酰基、膦酰氧基、羧基或二(C₁₋₆烷基)氨基取代；或 NRaRb 共同代表式中的一个自由基。 其中 y 为 1 至 3，Ra 如上定义；Rp 和 Rr 独立地为相同或不同的 C₁₋₆烷基； R¹ 是氢或式 Z 的基团 或 其中 Q 是-(CH₂)f-，可选择被一至六个相同或不同的 C₁₋₆ 烷基或 C₃₋₆ 环烷基取代，或者所述-(CH₂)f-基的一个碳原子也可以是 C₃₋₆ 环烷基亚基的一部分； R³ 和 R⁴ 独立地为氢或 C₁₋₆ 烷基，或 R³ 和 R⁴ 与它们所连接的碳原子一起形成 C₃₋₆ 亚环烷基； R⁵ 是 -OC(=O)R、-OP=O(OH)₂ 或 -CH₂OP=O(OH)₂，其中 R 是 C₁₋₆ 烷基； R⁶、R⁷、R⁸ 和 R𠞙 独立地为卤素、C₁₋₆ 烷基、C₁₋₆ 烷氧基或氢，但当 R⁵ 为 -OC(=O)R 时，R⁶、R⁷、R⁸ 或 R𠞙 中的一个为 -OP=O(OH)₂；f 为 2 至 6； 当 R⁵ 是 -CH₂OP=O(OH)₂ 时，n 是 O，m 是 1 或 0；当 R⁵ 是 -OC(=O)R 或 -OP=O(OH)₂ 时，n 是 1 或 0，m 是 1。 本发明还提供了用式 I 的化合物治疗哺乳动物肿瘤的药物制剂和方法。
• BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR
  申请人：KABUSHIKI KAISHA YAKULT HONSHA

  公开号：EP1591117A1

  公开（公告）日：2005-11-02

  The invention provides a drug which inhibits BCRP. A breast cancer resistance protein inhibitor containing, as an active ingredient, a diphenylacrylonitrile derivative represented by the following formula (1): [wherein, each of 8 R's, which are the same or different from one another, represents a hydrogen atom, a hydroxyl group, a nitro group, an amino group, an acetylamino group (-NHCOCH3 group), a cyano group (-CN group), a formyl group (-CHO group), -COOR1 (R1 is hydrogen or C1-C4 alkyl) , -O(CH2)nCOOR2 (n=1-7: R2 is hydrogen or C1-C4 alkyl) , -OOCCH2CH2COOR3 (R3 is hydrogen, C1-C4 alkyl, (Z)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile, or glycopyranosyl), a C1-C8 alkoxy group, a C1-C4 alkyl group, a halogen atom, a C1-C4 alkoxy C1-C4 alkoxy C1-C4 alkoxy group, a C2-C8 acyloxy group, a C2-C8 halogenoacyloxy group, a methylenedioxy group, a trifluoromethyl group, a phosphate group (i.e., -OP(O) (OH)2) or a salt thereof, a sulfate group (i.e., -OSO3H) or a salt thereof, a glycopyranosyl group or a salt thereof, a phosphate ester of a glycopyranosyl group or a salt of the ester, a sulfate ester of a glycopyranosyl group or a salt of the ester, or a piperidinopiperidinocarbonyloxy group], an ester thereof, or a salt thereof.

  本发明提供了一种抑制 BCRP 的药物。 一种乳腺癌抗性蛋白抑制剂，其活性成分含有下式（1）所代表的二苯基丙烯腈衍生物： [其中，8 个彼此相同或不同的 R 的每一个代表氢原子、羟基、硝基、氨基、乙酰氨基（-NHCOCH3 基）、氰基（-CN 基）、甲酰基（-CHO 基）、-COOR1（R1 是氢或 C1-C4 烷基）、-O(CH2)nCOOR2（n=1-7：R2是氢或C1-C4烷基），-OOC COOR3（R3是氢、C1-C4烷基、(Z)-2-(3,4-二甲氧基苯基)-3-(4-羟基苯基)-丙烯腈或吡喃糖基），C1-C8烷氧基，C1-C4烷基、C1-C4 烷氧基、C2-C8 酰氧基、C2-C8 卤代酰氧基、亚甲基二氧基、三氟甲基、磷酸基团（即e.,-OP(O)(OH)2）或其盐、硫酸基（即-OSO3H）或其盐、吡喃糖基或其盐、吡喃糖基的磷酸酯或其酯盐、吡喃糖基的硫酸酯或其酯盐、哌啶基哌啶羰基氧基]、其酯或其盐。
• Macrolide compounds
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0327270B1

  公开（公告）日：1994-03-09