(2-氨基环戊基)甲醇 | 4492-47-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (2-氨基环戊基)甲醇
• 英文名称: cis 1-amino-2-hydroxymethylcyclopentane
• 英文别名: (+/-)-2-(hydroxymethyl)cyclopentylamine；2-hydroxymethyl-1-aminocyclopentane；2-hydroxymethylcyclopentylamine；(+/-) cis-1-amino-2-hydroxymethylcyclopentane；(R,S)-2-hydroxymethyl-1-aminocyclopentane；trans-2-aminocyclopentylmethanol；(2-Aminocyclopentyl)methanol
• CAS: 4492-47-1
• 化学式: C₆H₁₃NO
• mdl: MFCD17015374
• 分子量: 115.175
• InChiKey: JFLVVCGMJYMWML-UHFFFAOYSA-N

物化性质

• 沸点：
  165-170 °C(Press: 0.3 Torr)
• 密度：
  1.002±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  (2-氨基环戊基)甲醇 在 4 A molecular sieve 、 硫酸 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 3.0h， 生成 1-(2-hydroxymethylcyclopentyl)uracil
  参考文献：
  名称：

  A Novel Approach for the Virtual Screening and Rational Design of Anticancer Compounds

  摘要：

  A topological substructural approach to molecular design (TOSS-MODE) has been introduced for the selection and design of anticancer compounds. A quantitative model that discriminates anticancer compounds from the inactive ones in a training series was obtained. This model permits the correct classification of 91.43% of compounds in an external prediction set with only 1.43% of false actives and 7.14% of false inactives. The model developed is then used in a simulation of a virtual search for Ras FTase inhibitors; 87% of the Ras FTase inhibitors used in this simulated search were correctly classified, thus indicating the ability of the TOSS-MODE model of finding lead compounds with novel structures and mechanism of action. Finally, a series of carbonucleosides was designed, and the compounds were classified as active/inactive anticancer compounds by using the model developed here. From the compounds so-designed, 20 were synthesized and evaluated experimentally for their antitumor effects on the proliferation of murine leukemia cells (L1210/0) and human T-lymphocyte cells (Molt4/C8 and CEM/0); 80% of these compounds were well-classified, as active or inactive, and only two pairs of isomeric compounds were false actives. The chloropurine derivatives were the most active compounds, especially compounds 6c,d.

  DOI：

  10.1021/jm991172d
• 作为产物：
  描述：

  ACPA 以 四氢呋喃 、 乙醚 为溶剂， 生成 (2-氨基环戊基)甲醇
  参考文献：
  名称：

  Substituted cycloalkylamine derivatives and their use as calcium channel

  摘要：

  一种治疗与哺乳动物脑细胞中钙积聚有关的疾病或病症的方法，包括向需要的对象施用化合物的有效量，该化合物的化学式为(I)，其中X为O、S、C.dbd.O或键；p和q独立取0-4；R.sup.1和R.sup.2各自独立选择自氢、C.sub.1-6烷基、C.sub.3-6环烷基或C.sub.3-6环烷基C.sub.1-4烷基的基团；n为1、2、3或4；Ar为苯基，可选择地被1至3个取代基取代，所述取代基为卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、C.sub.1-2烷二氧基、三氟甲基、三氟甲氧基、CN、NO.sub.2、氨基、单烷基或二烷基氨基和Ph(Alk.sup.1).sub.r Y(Alk.sup.2).sub.s —其中Ph为可选择地取代的苯基，Y为键、氧或羰基，Alk.sup.1和Alk.sup.2独立地为C.sub.1-4烷基，可以是直链或支链，r和s独立取0或1，但(Alk.sup.1).sub.r Y(Alk.sup.2).sub.s的长度不超过5个原子，以及其药学上可接受的盐；用于制造用于治疗需要钙通道拮抗剂的紊乱的药物，例如缺血性中风。还宣称了化学式(I)内的某些新化合物。

  公开号：

  US05817698A1

文献信息

• NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF
  申请人：RUXER Jean-Marie

  公开号：US20110166169A1

  公开（公告）日：2011-07-07

  The invention relates to the novel substances in Formula (I): wherein Het is a heterocycle optionally substituted by one or a plurality of radicals R1 or R′1; R is selected from the group comprising Formula (A′), (B), (C), (D), or (E), with R1 and/or R′1 selected from H, halogen, CF3, nitro, cyano, alkyl, hydroxyl, mercapto, amino, alkylamino, dialkylamino, alkoxy, phenylalcoxy, alkylhio, or carboxy that is free or esterified by an alkyl, carboxamide, CO—NH(alkyl), CON(alkyl)2, NH—CO-alkyl, sulfonamide, NH—S02-alkyl, S(0)2-NHalkyl, or S(02)-N(alkyl)2 radical; all these radicals are optionally substituted; W1, W2, and W3 independently are CH or N; X is 0, S, NR2, C(O), S(O), or S(0)2; Z is optionally substituted H, Hal, -0-R2 or —NH—R2 with R2 being H, alkyl, cycloalkyl, or heterocycloalkyl; and these substances are all isomeric forms and salts thereof, used as drugs.

  该发明涉及式（I）中的新物质：其中Het是一种杂环，可选择地由一个或多个基团R1或R′1取代；R从包括式（A′）、（B）、（C）、（D）或（E）的基团中选择，其中R1和/或R′1从H、卤素、CF3、硝基、氰基、烷基、羟基、巯基、氨基、烷基氨基、二烷基氨基、烷氧基、苯基氧基、烷硫基或自由或被烷基、羧酰胺、CO—NH（烷基）、CON（烷基）2、NH—CO-烷基、磺酰胺、NH—S02-烷基、S(0)2-NH烷基或S(02)-N(烷基)2基团中选择；所有这些基团可选择地被取代；W1、W2和W3独立地是CH或N；X是0、S、NR2、C(O)、S(O)或S(0)2；Z是可选择地取代的H、卤素、-0-R2或—NH—R2，其中R2是H、烷基、环烷基或杂环烷基；这些物质都是同分异构体和其盐，用作药物。
• [EN] TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS<br/>[FR] INHIBITEURS TRICYCLIQUES DU VIRUS DE L'HÉPATITE B
  申请人：OSPEDALE SAN RAFFAELE SRL

  公开号：WO2020030781A1

  公开（公告）日：2020-02-13

  The present invention relates to compounds that are inhibitors of hepatitis B virus (HBV). Compounds of this invention are useful alone or in combination with other agents for treating, ameliorating, preventing or curing HBV infection and related conditions. The present invention also relates to pharmaceutical compositions containing said compounds.

  本发明涉及抑制乙型肝炎病毒（HBV）的化合物。本发明的化合物可单独使用或与其他药剂结合用于治疗、改善、预防或治愈HBV感染及相关疾病。本发明还涉及含有上述化合物的药物组合物。
• [EN] SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH<br/>[FR] DIAMINOCARBOXAMIDEPYRIMIDINES ET DIAMINOCARBONITRILEPYRIMIDINES SUBSTITUÉES, COMPOSITIONS DE CELLES-CI ET PROCÉDÉS DE TRAITEMENT À L'AIDE DE CELLES-CI
  申请人：SIGNAL PHARM LLC

  公开号：WO2012145569A1

  公开（公告）日：2012-10-26

  Provided herein are Diaminopyrimidine Compounds having the following structures: wherein R1, R2, R3, and R4 are as defined herein, compositions comprising an effective amount of a Diaminopyrimidine Compound, and methods for treating or preventing liver fibrotic disorders or a condition treatable or preventable by inhibition of a JNK pathway.

  本文提供具有以下结构的二氨基嘧啶化合物：其中R1、R2、R3和R4如本文所定义，包含有效量二氨基嘧啶化合物的组合物，以及用于治疗或预防肝纤维化疾病或通过抑制JNK途径可治疗或预防的疾病的方法。
• One-Pot Parallel Synthesis Approach to Secondary Amines Based on the Reductive Amination of Ketones
  作者：Yurii Moroz、Andrey Bogolubsky、Sergey Pipko、Dmitriy Panov、Anzhelika Konovets、Roman Doroschuk、Andrey Tolmachev

  DOI：10.1055/s-0033-1341226

  日期：——

  mixture [a Lewis acid, Ti(Oi-Pr)4, and a water scavenger, 1-(trimethylsilyl)-2-pyrrolidinone] and a simple reductant (NaBH4) provides an efficient one-pot approach to parallel synthesis of secondary amines by the reductive amination of ketones. The approach demonstrated its applicability to a variety of substrates with different degree of hindrance of an amino or a carbonyl group affording products in moderate

  摘要 缩合混合物[路易斯酸，Ti（O i -Pr）4和除水剂1-（三甲基甲硅烷基）-2-吡咯烷酮]和简单的还原剂（NaBH 4）的组合提供了一种有效的一锅法通过酮的还原胺化平行合成仲胺。该方法证明了其可适用于具有不同程度的氨基或羰基受阻程度的多种底物，从而以中等至高产率提供产物。 缩合混合物[路易斯酸，Ti（O i -Pr）4和除水剂1-（三甲基甲硅烷基）-2-吡咯烷酮]和简单的还原剂（NaBH 4）的组合提供了一种有效的一锅法通过酮的还原胺化平行合成仲胺。该方法证明了其可适用于具有不同程度的氨基或羰基受阻程度的多种底物，从而以中等至高产率提供产物。
• Thiazolidinone compounds and composition for angina pectoris comprising
  申请人：Sankyo Company, Limited

  公开号：US05843973A1

  公开（公告）日：1998-12-01

  A thiazolidinone compound represented by general formula (I) or a pharmacoligically acceptable salt thereof, ##STR1## wherein W represents sulfur or oxygen and X represents --N(R.sup.1)--, or alternatively X represents sulfur or oxygen and W represents --N(R.sup.1)--, and R.sup.1 represents hydrogen, alkyl or substituted alkyl; R.sup.2 and R.sup.3 are the same or different from each other, and each represents hydrogen, alkyl, substituted alkyl, aryl, or 5- or 6-membered heteroaryl; R.sup.4 represents hydrogen, alkyl or substituted C.sub.1 -C.sub.4 alkyl; R.sup.5 represents substituted cycloalkyl which may contain nitrogen, provided the substituents include --B--ONO.sub.2 (wherein B represents a single bond or alkylene) as the indispensable member and alkyl groups as optional members; and A represents a single bond or alkylene, has an excellent anti-anginal effect and thus is useful as an angina pectoris remedy or preventive.

  一种噻唑烷酮化合物，其通式为(I)或其药学上可接受的盐，##STR1##其中W代表硫或氧，X代表--N(R.sup.1)--，或者X代表硫或氧，W代表--N(R.sup.1)--，R.sup.1代表氢、烷基或取代烷基；R.sup.2和R.sup.3彼此相同或不同，各自代表氢、烷基、取代烷基、芳基或5或6元杂芳基；R.sup.4代表氢、烷基或取代的C.sub.1 -C.sub.4烷基；R.sup.5代表可能含有氮的取代环烷基，其取代基包括作为必需成员的--B--ONO.sub.2（其中B代表单键或亚烷基）以及作为可选成员的烷基；A代表单键或亚烷基，具有优异的抗心绞痛效果，因此可作为心绞痛的治疗或预防药物。