2,3-二氢-1H-异吲哚-5-基甲醇 | 127168-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 2,3-二氢-1H-异吲哚-5-基甲醇
• 中文别名: 异吲哚啉-5-基甲醇
• 英文名称: isoindolin-5-ylmethanol
• 英文别名: 5-hydroxymethyl-2,3-dihydro-1H-isoindole；5-hydroxymethylisoindoline；(2,3-dihydro-1H-isoindol-5-yl)-methanol；2,3-dihydro-1H-isoindol-5-ylmethanol
• CAS: 127168-98-3
• 化学式: C₉H₁₁NO
• 分子量: 149.192
• InChiKey: RNLBNPQIMFCASQ-UHFFFAOYSA-N

物化性质

• 沸点：
  296.7±35.0 °C(Predicted)
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2,3-二氢-1H-异吲哚-5-基甲醇 在 potassium carbonate 、 二甲基亚砜 、 N,N-二异丙基乙胺 、 三氟乙酸酐 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 5-甲酰基异吲哚啉-2-羧酸叔丁酯
  参考文献：
  名称：

  Synthesis of substituted 5-aminomethyl tetrahydro-isoquinolines and dihydro-isoindoles

  摘要：

  The synthesis of ten substituted aminomethylene tetrahydro-isoquinolines is described, proceeding in eight steps from 5-hydroxyisoquinoline via reductive amination of N-Boc tetrahydro-isoquinoline 5-carboxaldehyde. Likewise, reductive amination was used to prepare four substituted dihydro-isoindoles from the corresponding aldehyde. The dihydro-isoindole ring system was conveniently accessed via a 2+2+2 cycloaddition reaction. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.095
• 作为产物：
  描述：

  3,4-双(溴代甲基)苯甲酸甲酯 在 lithium aluminium tetrahydride 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0~50.0 ℃ 、344.75 kPa 条件下， 反应 6.0h， 生成 2,3-二氢-1H-异吲哚-5-基甲醇
  参考文献：
  名称：

  [EN] SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS
  [FR] DÉRIVÉS DE SULFAMIDE UTILISÉS EN TANT QU'INHIBITEURS DE KINASE 2 DÉPENDANT DE LA CYCLINE

  摘要：

  The present disclosure provides certain sulfamide derivatives that are cydin-dependent kinase 2 (CDK2) inhibitors of Formula (I) for the treatment of diseases treatable by inhibition of CDK2. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公开号：

  WO2023240024A1

文献信息

• Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands
  申请人：Capet Marc

  公开号：US20080214542A1

  公开（公告）日：2008-09-04

  The invention concerns compounds of general formula (I), a method for preparing same, as well as their use as therapeutic agent.

  这项发明涉及一般式（I）的化合物，以及制备这些化合物的方法，以及它们作为治疗剂的用途。
• PHARMACEUTICAL COMPOUNDS
  申请人：Congreve Miles Stuart

  公开号：US20100152184A1

  公开（公告）日：2010-06-17

  The invention provides a compound for use in medicine, the compound being a compound of the formula (VI 0 ) or a salt, solvate, tautomer or N-oxide thereof: wherein the bicyclic group: is selected from the structures C1, C5 and C6: wherein n is 0, 1, 2 or 3; R 1 is hydrogen, hydroxy, or O—R z ; R 2a is hydroxy, methoxy or O—R z ; provided that at least one of R 1 and R 2a is O—R z ; R z is L p -R p1 ; SO 3 H; a glucuronide residue; a mono-, di- or tripeptide residue; or L p is a bond, C═O, (C═O)O, (C═O)NR p1 or S(O) x NR p1 ; x is 1 or 2; R p1 is hydrogen or a an optionally substituted C 1-25 hydrocarbyl group containing 0, 1 or 2 carbocyclic rings and 0, 1, 2, 3, 4, 5 or 6 carbon-carbon multiple bonds, provided that R p1 is not hydrogen when L p is a bond, C═O or (C═O)O; and provided also that O—R z does not contain an O—O moiety; and excluding compounds wherein R 1 is hydroxy and R 2a is methoxy; R p2 and R p3 are the same or different and each is a group R p1 ; and R 3 , R 4a , R 8 and R 10 are defined in the claims. The compounds of formula (VI 0 ) are pro-drugs of parent compounds wherein R 1 and/or R 2a are hydroxy, wherein the parent compounds have Hsp90 inhibiting activity.

  本发明提供了一种用于药物中的化合物，该化合物是式(VI0)的化合物或其盐、溶剂化物、互变异构体或N-氧化物：其中双环基团：选自结构C1、C5和C6：其中n为0、1、2或3；R1为氢、羟基或O—Rz；R2a为羟基、甲氧基或O—Rz；条件是R1和R2a中至少一个是O—Rz；Rz为Lp-Rp1；SO3H；一个葡萄糖苷酸残基；一个单、二或三肽残基；或Lp为键、C═O、(C═O)O、(C═O)NRp1或S(O)xNRp1；x为1或2；Rp1为氢或一个可选地取代的含0、1或2个碳环和0、1、2、3、4、5或6个碳-碳多重键的C1-25烃基团，条件是当Lp为键、C═O或(C═O)O时，Rp1不是氢；并且还条件是O—Rz不包含O—O部分；并排除R1为羟基且R2a为甲氧基的化合物；Rp2和Rp3相同或不同，且各自为Rp1基团；R3、R4a、R8和R10如权利要求中定义。式(VI0)的化合物是其中R1和/或R2a为羟基的母化合物的前药，其中母化合物具有Hsp90抑制活性。
• Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation and structure–activity relationships. Part 2
  作者：Takao Horiuchi、Motoko Nagata、Mayumi Kitagawa、Kouichi Akahane、Kouichi Uoto

  DOI：10.1016/j.bmc.2009.10.039

  日期：2009.12

  The design, synthesis and evaluation of novel thieno[2,3-d]pyrimidin-4-yl hydrazone analogues as cyclin-dependent kinase 4 (CDK4) inhibitor are described. Focusing on the optimization of the heteroaryl moiety at the hydrazone with substituted phenyl groups, 4-[(methylamino)methyl]benzaldehyde (22) and 5-isoindolinecarbaldehyde (24) (6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazone derivatives have

  描述，设计和合成新型噻吩并[2,3 - d ]嘧啶-4-基类似物作为细胞周期蛋白依赖性激酶4（CDK4）抑制剂。重点研究the上带有取代苯基，4-[（（甲基氨基）甲基]苯甲醛（22）和5-异二氢吲哚甲醛（24）（6-叔丁基硫代[2,3- d ]嘧啶-已经鉴定出4-基）hydr衍生物。在本文中，讨论了我们合成化合物的效价，选择性和结构活性关系。
• Isoindoline derivative
  申请人：Wakunaga Seiyaku Kabushiki Kaisha

  公开号：US05026856A1

  公开（公告）日：1991-06-25

  Isoindoline derivatives represented by the formula (I) and their salts are disclosed. ##STR1## There are many varieties for the compound depending on the types of residues R.sup.1 -R.sup.9 and X. The compounds can be prepared from quinoline derivatives of the formula (II) and an isoindoline derivatives of the formula (III). The compounds of formula (I) and their salts have excellent antibacterial activities against both gram positive and gram negative microorganisms. They can be used as a medicine, an agrichemical, and a food preservative.

  公开了由公式（I）表示的异喹啉衍生物及其盐。根据残基R.sup.1-R.sup.9和X的类型，该化合物有许多种类。这些化合物可以由公式（II）的喹啉衍生物和公式（III）的异喹啉衍生物制备而成。公式（I）的化合物及其盐对革兰氏阳性和革兰氏阴性微生物具有出色的抗菌活性。它们可以用作药物、农药和食品防腐剂。
• Compound inhibiting dipeptidyl peptidase IV
  申请人：Kakigami Takuji

  公开号：US20060229286A1

  公开（公告）日：2006-10-12

  A dipeptidyl peptidase IV inhibitor which is satisfactory in respect of activity, stability and safety and has an excellent action as a pharmaceutical agent. A compound represented by the following general formula or a pharmaceutically acceptable salt thereof: wherein R 1 and R 2 each represents hydrogen, an optionally substituted C1-6 alkyl group, or —COOR 5 whereupon R 5 represents hydrogen or an optionally substituted C1-6 alkyl group, or R 1 , R 2 , and a carbon atom together represent a 3- to 6-membered cycloalkyl group, R 3 represents hydrogen or an optionally substituted C6-10 aryl group, R 4 represents a hydrogen or a cyano group, D represents —CONR 6 —, —CO— or —NR 6 CO—, R 6 represents hydrogen or an optionally substituted C1-6 alkyl group, E represents —(CH 2 ) m — whereupon m is 1 to 3, —CH 2 OCH 2 —, or —SCH 2 —, n is 0 to 3, and A represents an optionally substituted bicyclic heterocyclic group or bicyclic hydrocarbon group.

  一种二肽基肽酶IV抑制剂，具有活性、稳定性和安全性方面的满意度，并且作为药物剂量具有优异的作用。该化合物由以下通式表示或其药学上可接受的盐：其中R1和R2分别表示氢、可选取代的C1-6烷基或-COOR5，其中R5表示氢或可选取代的C1-6烷基，或者R1、R2和一个碳原子共同表示3-6个成员的环烷基，R3表示氢或可选取代的C6-10芳基，R4表示氢或氰基，D表示-CONR6-、-CO-或-NR6CO-，R6表示氢或可选取代的C1-6烷基，E表示-(CH2)m-，其中m为1至3，-CH2OCH2-或-SCH2-，n为0至3，A表示可选取代的双环杂环基或双环烃基。