(1-丙基哌啶-3-基)甲醇 | 102450-20-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (1-丙基哌啶-3-基)甲醇
• 中文别名: 3-哌啶甲醇,1-丙基-
• 英文名称: 1-propyl-3-(hydroxymethyl)piperidine
• 英文别名: (1-propyl-piperidin-3-yl)methanol；(1-Propylpiperidin-3-yl)methanol
• CAS: 102450-20-4
• 化学式: C₉H₁₉NO
• mdl: MFCD16153150
• 分子量: 157.256
• InChiKey: BJTTYMDZZCMDST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1-丙基哌啶-3-基)甲醇 、 5-chloropyrrolo[1,2-a]thieno[3,2-e]pyrazine 在 sodium hydride 作用下， 以 甲苯 、 mineral oil 为溶剂， 反应 6.0h， 生成 5-(1-propylpiperidin-3-ylmethoxy)pyrrolo[1,2-a]thieno[3,2-e]-pyrazine
  参考文献：
  名称：

  血清素4受体的新型拮抗剂：吡咯烷噻吩并吡嗪类化合物的合成和生物学评估

  摘要：

  根据5-HT 4受体拮抗剂药效团的定义，一系列吡咯并[1,2- a ]噻吩并[3,2- e ]和吡咯并[1,2- a ]噻吩并[2,3- e ]设计，制备和评估吡嗪衍生物，以确定与5-HT 4受体高亲和力结合所需的性质。通过用各种N-烷基-4-哌啶基甲醇盐取代吡嗪环的氯原子来合成化合物。在结合测定中以[ 3 H] GR113808（1）作为5-HT 4受体放射性配体对它们进行了评估。亲和力值（K i（或抑制百分比）受到芳环上的取代基和侧哌啶链上的取代基的影响。三环上的甲基会显着增加亲和力，而N-丙基或N-丁基会产生具有纳摩尔亲和力的化合物。在最有效的配体中，选择34d用于进一步的药理研究并在体内进行评估。该化合物在稳定表达5-HT 4（a）受体的COS-7细胞中充当拮抗剂/弱部分激动剂，并作为一种外周镇痛药而引起了人们的极大兴趣。

  DOI：

  10.1016/j.bmc.2008.11.045
• 作为产物：
  描述：

  3-哌啶甲醇 、 丙醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 21.0h， 生成 (1-丙基哌啶-3-基)甲醇
  参考文献：
  名称：

  EP1772454

  摘要：

  公开号：

文献信息

• NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS
  申请人：Ropp Sandrine

  公开号：US20090221565A1

  公开（公告）日：2009-09-03

  A subject of the invention is the compounds of formula (I): in which either R 1 represents H, OH, NH 2 , —(CH 2 ) m —NR a R b (m=0.1 or 2), R a and R b represent H, linear, branched or cyclic (C 1 -C 6 ) alkyl, (C 3 -C 6 ) cycloalkyl-(C 3 -C 6 )— alkyl, R c , S(O) 2 R c , C(O)R c , S(O) 2 R d or C(O)R d ; or R a and R b with N form an R c radical; R c represents a saturated, unsaturated or 5- or 6-members aromatic ring, containing 1 to 4 heteroatoms chosen from N, O and S, optionally substituted; R d represents a linear, branched or cyclic (C 1 -C 6 ) alkyl, optionally substituted by 1 to 4 halogens; or R 1 represents R c or CHR e R c or CHR e R d ; R e represents H, OH, NH 2 , NH—(C 1 -C 6 )-alk or N-(C 1 -C 6 )-alk 2 , or NH—(C 1 -C 7 )-acyl or NHR c ; R 2 represents H, (CH 2 ) m —NR a R b , R c , CHR e R c or CHR e R d , and R′ 2 represents H; it being understood that R 1 and R 2 cannot at the same time be H or that R 1 and R 2 or R 2 and R 1 cannot be one (CH 2 ) m —NR a R b or R c or H and the other one OH, or one H and the other one NH 2 , or one H and the other one (CH 2 ) m —NR a R b in which R a and R b represent H or alkyl or C(O)R d , in which R d represents an unsubstituted alkyl or cycloalkyl; or R 1 has the above definition except H and R 2 and R′ 2 together represent gem dialkyl or alkyl-oxime, or R 2 and R′ 2 represent respectively R c or R d and OH, NH 2 , NHR c or NHR f , R f being a (C 1 -C 7 ) acyl radical; or R 1 represents H and R 2 and R′ 2 together represent alkyl-oxime or one represents R c and the other one represents OH, NH 2 , NHR c or NHR f ; n is 0 or 1; R 3 and R′ 3 represent H or (C 1 -C 6 ) alkyl optionally substituted by 1 to 3 halogens or R 3 represents (C 1 -C 6 ) alkoxy carbonyl and R′ 3 represents H; R4 represents methyl optionally substituted by halogen; R 5 represents H, (C 1 -C 6 ) alkyl or (C 7 -C 12 ) arylalkyl; R 6 represents H, fluorine, NO 2 , CF 3 or CN; in the form of enantiomers or mixtures, as well as their salts with acids and bases; their preparation and their application as anti-bacterials, in both human and veterinary medicine.

  本发明的一个主题是化合物的公式(I)：其中R1代表H、OH、NH2、—(CH2)m—NRaRb(m=0、1或2)；Ra和Rb代表H、直链、支链或环状(C1-C6)烷基、(C3-C6)环烷基-(C3-C6)烷基、Rc、S(O)2Rc、C(O)Rc、S(O)2Rd或C(O)Rd；或Ra和Rb与N形成一个Rc基团；Rc代表饱和、不饱和或含有1至4个N、O和S中的杂原子的5-或6-成员芳香环，可选地取代；Rd代表直链、支链或环状(C1-C6)烷基，可选地取代1至4个卤素；或R1代表Rc或CHReRc或CHReRd；Re代表H、OH、NH2、NH—(C1-C6)-烷基或N-(C1-C6)-烷基2，或NH—(C1-C7)-酰基或NHRc；R2代表H、(CH2)m—NRaRb、Rc、CHReRc或CHReRd，而R′2代表H；R1和R2不能同时为H，或者R1和R2或R2和R1不能一个为(CH2)m—NRaRb或Rc或H，另一个为OH，或一个为H，另一个为NH2，或一个为H，另一个为(CH2)m—NRaRb，其中Ra和Rb代表H或烷基或C(O)Rd，其中Rd代表未取代的烷基或环烷基；或R1具有上述定义，除了H，R2和R′2一起表示双取代烷基或烷基氧肟，或者R2和R′2分别表示Rc或Rd和OH、NH2、NHRc或NHRf，其中Rf是(C1-C7)酰基基团；或R1代表H，R2和R′2一起表示烷基氧肟，或一个表示Rc，另一个表示OH、NH2、NHRc或NHRf；n为0或1；R3和R′3表示H或可选地取代1至3个卤素的(C1-C6)烷基，或R3表示(C1-C6)烷氧羰基，R′3表示H；R4表示可选地取代的甲基；R5表示H、(C1-C6)烷基或(C7-C12)芳基烷基；R6表示H、氟、NO2、CF3或CN；以对映体或混合物形式存在，以及它们与酸和碱形成的盐；它们的制备以及它们作为抗菌剂在人类和兽医学中的应用。
• [EN] COMPOUNDS FOR USE IN STABILISING p53 MUTANTS<br/>[FR] COMPOSÉS PERMETTANT DE STABILISER LES MUTANTS DE P53
  申请人：MEDICAL RES COUNCIL

  公开号：WO2012175962A1

  公开（公告）日：2012-12-27

  Provided are compounds for use in a method of treatment of a subject who has a lesion or a tumour in which p53 carries a Y220C mutation, in which the compound is selected from compounds of the following formula (I), and pharmaceutically acceptable salts, hydrates, and solvates thereof: (I) R: where A is CR4 or N; -R-1 is selected from -OH, -OMe, -NH2, -SH, -F and -CF3; -R2 is selected from -CI, -Br, -I, and ethynyl (-C≡CH); -R3 is selected from -I, -Br, -CI, ethynyl (-C≡CH), -R35, -H, -OMe, and -N02; wherein -R3S is selected from: and -R5 is selected from -COOH and: 8A formula Ilia formula 1Mb formula 111 o 3 where -R6, -R7A, - R7B, -Rs, and -R8A are as defined in the specification. Compounds of formula (I) are also provided, as is their use in methods of treatment, and methods for their preparation.

  提供了用于治疗患有p53携带Y220C突变的病变或肿瘤的方法中使用的化合物，其中该化合物从以下公式(I)的化合物中选择，并且其药学上可接受的盐、水合物和溶剂化合物：(I) R：其中A为CR4或N；-R-1选择自-OH、-OMe、-NH2、-SH、-F和-CF3；-R2选择自-Cl、-Br、-I和乙炔（-C≡CH）；-R3选择自-I、-Br、-Cl、乙炔（-C≡CH）、-R35、-H、-OMe和-N02；其中-R3S选择自：和-R5选择自-COOH和：8A公式Ilia公式1Mb公式111 o 3其中-R6、-R7A、-R7B、-Rs和-R8A如规范中所定义。还提供了公式(I)的化合物，以及它们在治疗方法中的使用和制备方法。
• Nitrogenous Fused Bicyclic Compound
  申请人：Takamuro Iwao

  公开号：US20080081817A1

  公开（公告）日：2008-04-03

  A novel nitrogenous fused bicyclic compound represented by the following general formula [1] or a pharmacologically acceptable salt of the compound. They have excellent SK channel blocking activity and are useful as a medicine. [I] (In the formula, R 0 represents hydrogen, halogeno, etc.; R 1 represents a group represented by the formula (a) or (b); A represents a group represented by the formula (X) or (Y); D 1 , D 2 and D 3 each represents N or CH; R 2 represents halogeno or optionally halogenated lower alkyl, etc.; R 3 represents hydrogen or lower alkyl; and Q represents lower alkylene.)

  下面是一种新型的含氮融合双环化合物，其通式如下[1]，或其药理学上可接受的盐。它们具有出色的SK通道阻滞活性，是一种有用的药物。[I]（在公式中，R0代表氢，卤素等; R1代表由公式（a）或（b）表示的基团; A代表由公式（X）或（Y）表示的基团; D1，D2和D3分别表示N或CH; R2代表卤素或可选卤代的低碳基等; R3代表氢或低碳基; Q代表低碳链基）。
• Nicotinamide Derivatives
  申请人：Crawforth James Michael

  公开号：US20110306597A1

  公开（公告）日：2011-12-15

  The present invention relates to compounds of the formula (I) and pharmaceutically acceptable salts and solvates thereof, wherein the substituents are defined herein, to compositions containing such compounds and to the uses of such compounds for the treatment of allergic and respiratory conditions.

  本发明涉及公式(I)的化合物及其药学上可接受的盐和溶剂，其中取代基在此定义，以及包含这种化合物的组合物，以及这种化合物用于治疗过敏和呼吸系统疾病的用途。
• NITROGENOUS FUSED BICYCLIC COMPOUND
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1772454A1

  公开（公告）日：2007-04-11

  A novel nitrogenous fused bicyclic compound represented by the following general formula [1] or a pharmacologically acceptable salt of the compound. They have excellent SK channel blocking activity and are useful as a medicine. [I] (In the formula, R0 represents hydrogen, halogeno, etc.; R1 represents a group represented by the formula (a) or (b); A represents a group represented by the formula (X) or (Y); D1, D2 and D3 each represents N or CH; R2 represents halogeno or optionally halogenated lower alkyl, etc.; R3 represents hydrogen or lower alkyl; and Q represents lower alkylene.)

  一种由以下通式[1]代表的新型含氮融合双环化合物或其药理学上可接受的盐。它们具有优异的 SK 通道阻断活性，可用作药物。[I]（式中，R0 代表氢、卤素等；R1 代表由式（a）或（b）表示的基团；A 代表由式（X）或（Y）表示的基团；D1、D2 和 D3 各自代表 N 或 CH；R2 代表卤素或任选卤化的低级烷基等；R3 代表氢或低级烷基；Q 代表低级亚烷基）。