3-Methylpentan-3-ylazanium;bromide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-Methylpentan-3-ylazanium;bromide
• 英文别名: 3-methylpentan-3-ylazanium;bromide
• 化学式: C6H16BrN
• 分子量: 182.1
• InChiKey: WIDCFSRKBOMQGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.19
• 重原子数：
  8
• 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：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• [EN] GEMINI SURFACTANTS<br/>[FR] TENSIOACTIFS GEMINI
  申请人：ST FRANCIS XAVIER UNIVERSITY

  公开号：WO2010048715A1

  公开（公告）日：2010-05-06

  The invention relates to gemini surfactants of formula IA wherein A is a core derived from an organic polyhydroxy compound; R1 and R2 are each independently a hydrophobic group; and R3 and R4 are each independently a surfactant head group. Such surfactants can be used as components of fluids used in the petroleum industry or used in formulating cleansing compositions or detergent compositions.

  这项发明涉及的是 Gemini 表面活性剂，其化学公式为 IA，其中 A 是源自有机多羟基化合物的核心；R1 和 R2 各自独立地为疏水基团；R3 和 R4 各自独立地为表面活性剂的头基团。这类表面活性剂可用作石油工业中使用的流体的组成部分，或用于配制清洁剂或洗涤剂。
• [EN] PYRIMIDOTHIOPHENE COMPOUNDS<br/>[FR] COMPOSES DE PYRIMIDOTHIOPHENE
  申请人：VERNALIS CAMBRIDGE LTD

  公开号：WO2006008503A1

  公开（公告）日：2006-01-26

  Compounds of formula (I) are inhibitors of HSP90, and useful in the treatment of, for example, cancers: Formula (I) wherein R2 is a group of formula (IA): -(Ar1)m (Alk1)P (Z)r (Alk2)s-Q (1A) wherein in any compatible combination Ar1 is an optionally substituted aryl or heteroaryl radical, Alk1 and Alk2 are optionally substituted divalent C1-C3 alkylene or C2-C3 alkenylene radicals, m, p, r and s are independently 0 or 1, Z is -0-, -S-, -(C=0)-, -(C=S)-, -SO2-, -C(=O)O-, -C(=O)NRA- , -C(=S)NRA-, -SO2NRA-, -NRAC(=0)-, -NRAS02- or -NRA- wherein RA is hydrogen or C1-C6 alkyl, and Q is hydrogen or an optionally substituted carbocyclic or heterocyclic radical; R3 is hydrogen, an optional substituent, or an optionally substituted (C1-C6)alkyl, aryl or heteroaryl radical; and R4 is (i) hydrogen, a -CN group, a nitro group -NO2, or a - C(=NOH)(NH2) group, or(ii) an optionally substituted C1-C6alkyl, aryl, heterocyclic, aryl(C1-C6alkyl)-, or heterocyclic(C1-C6alkyl)- group, or (iii) a group of formula - C(=0)R5 wherein R5 is hydroxyl, optionally substituted C1-C6alkyl, C1-C6alkyoxy, aryl, aryloxy, heteroaryl, heteroaryloxy,aryl(C1-C6alkyl)-, aryl(C1-C6alkoxy)-, heteroaryl(C1-C6alkyl)-, or heteroaryl(C1-C6alkoxy)-, or (iv) a group of formula -C(=O)NHR6 wherein R6 is primary, secondary, tertiary or cyclic amino, or hydroxyl, optionally substituted C1-C6alkyl, C1-C6alkyoxy, aryl, aryloxy, heteroaryl, heteroaryloxy, aryl(C1-C6alkyl)-, aryl(C1-C6alkoxy)-, heteroaryl(C1-C6alkyl)-, or heteroaryl(C1-C6alkoxy)-.

  公式(I)的化合物是HSP90的抑制剂，并且在治疗例如癌症方面是有用的：公式(I)其中R2是公式(IA)的基团：-(Ar1)m (Alk1)P (Z)r (Alk2)s-Q (1A)其中在任何兼容组合中Ar1是可选地取代的芳基或杂芳基自由基，Alk1和Alk2是可选地取代的C1-C3亚烷基或C2-C3亚烯基自由基，m、p、r和s独立地为0或1，Z是-0-，-S-，-(C=0)-，-(C=S)-，-SO2-，-C(=O)O-，-C(=O)NRA-，-C(=S)NRA-，-SO2NRA-，-NRAC(=0)-，-NRAS02-或-NRA-其中RA是氢或C1-C6烷基，并且Q是氢或可选地取代的碳环或杂环自由基；R3是氢，可选的取代基，或可选地取代的(C1-C6)烷基，芳基或杂芳基自由基；R4是(i)氢，-CN基团，硝基-NO2，或-C(=NOH)(NH2)基团，或(ii)可选地取代的C1-C6烷基，芳基，杂环，芳基(C1-C6烷基)-或杂环(C1-C6烷基)-基团，或(iii)公式-C(=0)R5的基团其中R5是羟基，可选地取代的C1-C6烷基，C1-C6烷氧基，芳基，芳氧基，杂芳基，杂芳氧基，芳基(C1-C6烷基)-，芳基(C1-C6烷氧基)-，杂芳基(C1-C6烷基)-或杂芳基(C1-C6烷氧基)-，或(iv)公式-C(=O)NHR6的基团其中R6是一级，二级，三级或环状氨基酸，或羟基，可选地取代的C1-C6烷基，C1-C6烷氧基，芳基，芳氧基，杂芳基，杂芳氧基，芳基(C1-C6烷基)-，芳基(C1-C6烷氧基)-，杂芳基(C1-C6烷基)-或杂芳基(C1-C6烷氧基)-。
• COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE
  申请人：The Procter & Gamble Company

  公开号：US20170152222A1

  公开（公告）日：2017-06-01

  The invention provides a method of inhibiting the conversion of choline or carnitine to trimethylamine (TMA) and lowering TMAO in an individual comprising administering to the individual a composition comprising a compound set forth in FORMULA (I): The invention also provides for a method of inhibiting the production of TMA by bacteria comprising administering to the individual a composition comprising a compound set forth in FORMULA (I) wherein the compound is administered in an amount effective to inhibit formation of trimethylamine (TMA) from choline or carnitine in the individual.

  本发明提供了一种抑制胆碱或肉碱转化为三甲胺（TMA）并降低个体内TMAO水平的方法，包括向个体施用包含如公式（I）所示的化合物的组合物。本发明还提供了一种抑制细菌产生TMA的方法，包括向个体施用包含如公式（I）所示的化合物的组合物，其中所述化合物的施用量足以抑制个体内胆碱或肉碱形成三甲胺（TMA）。
• [EN] 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 1H-PYRROLO[2,3-B]PYRIDINE ET LEUR UTILISATION COMME INHIBITEURS DE KINASES
  申请人：VERNALIS R & D LTD

  公开号：WO2013114113A1

  公开（公告）日：2013-08-08

  The inventions relates to compounds of (I) and therapeutic uses thereof : (I) The terms Z, Y, and R1 are as defined in the claims.

  本发明涉及式(I)化合物的化合物及其治疗用途：(I) 其中Z、Y和R1的定义如权利要求中所述。
• 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS
  申请人：Vernalis (R&D) Limited

  公开号：US20150011533A1

  公开（公告）日：2015-01-08

  The inventions relates to compounds of (I) and therapeutic uses thereof: (I) The terms Z, Y, and R 1 are as defined in the claims.

  这项发明涉及化合物(I)及其治疗用途：(I) 术语Z、Y和R1的定义如索赔中所述。