(1S)-trans-3-Methyl-cyclopentanol | 68680-81-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S)-trans-3-Methyl-cyclopentanol
• 英文别名: trans-3-Methyl-cyclopentanol；trans-3-Methyl-cyclopentan-1-ol；(1S,3S)-3-Methylcyclopentan-1-ol
• CAS: 68680-81-9
• 化学式: C₆H₁₂O
• 分子量: 100.161
• InChiKey: VEALHWXMCIRWGC-WDSKDSINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (S)-3-methylcyclopentanone 在 sodium tetrahydroborate 、 1,4-dihydronicotinamide adenine dinucleotide 、 horse liver alcohol dehydrogenase 作用下， 生成 trans-3-methylcyclopentanol 、 cis-3-Methyl-cyclopentanol 、 (1S)-trans-3-Methyl-cyclopentanol 、 cis-3-methylcyclopentanol
  参考文献：
  名称：

  Use of shift reagent with MTPA derivatives in19F NMR spectrocopy: IV—Determination of enantiomeric composition for a variety of secondary cycloalkanols. A survey

  摘要：

  AbstractChiral secondary cycloalkanols (monocyclic alcohols) are derivatized to the corresponding (R)‐α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid [(R)‐MTPA] esters and analysed by 19F NMR in the presence of tris(6,6,7,7,8,8,8‐heptafluoro‐2,2‐dimethyl‐3,5‐octanedionato) europium(III) [Eu(fod)3]. Using this method the enantiomeric composition can be measured for several cyclopentanols, cyclohexanols and cycloheptanols, with a variety of substitution patterns. It is shown that a mixture of four stereoisomeric cycloalkanols, such as cis and trans disubstituted alcohols, can be analysed simultaneously.

  DOI：

  10.1002/omr.1270210609

文献信息

• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES, LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011086053A1

  公开（公告）日：2011-07-21

  The invention provides novel compounds of formula (I) having the general formula, wherein R1, R2, R3, X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  该发明提供了具有通式（I）的新化合物，通式如下，其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以用于制备药学上可接受的组合物，并用于治疗免疫或过度增殖性疾病。
• CDK2/4/6 Inhibitors
  申请人：Pfizer Inc.

  公开号：US20190135817A1

  公开（公告）日：2019-05-09

  This invention relates to compounds of general Formula (I) and pharmaceutically acceptable salts thereof, in which R 1 , R 2 , R 2A , R 2B , R 3 , R 4 , R 5A , R 5B , R 6 , R 7 , R 8 , R 9 , p, q and r are as defined herein, to pharmaceutical compositions comprising such compounds and salts, and to methods of using such compounds, salts and compositions for the treatment of abnormal cell growth, including cancer.

  本发明涉及一般式（I）的化合物及其药学上可接受的盐，其中R1、R2、R2A、R2B、R3、R4、R5A、R5B、R6、R7、R8、R9、p、q和r的定义如本文所述，以及包含这些化合物和盐的制药组合物，以及使用这些化合物、盐和组合物治疗异常细胞生长，包括癌症的方法。
• TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Babu Srinivasan

  公开号：US20110201593A1

  公开（公告）日：2011-08-18

  The invention provides novel compounds of formula I having the general formula: wherein R 1 , R 2 , R 3 , X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  本发明提供了具有以下一般式的新化合物I： 其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以在药学上可接受的组合物中提供，并用于治疗免疫或过度增生性疾病。
• SPIRO-OXINDOLE MDM2 ANTAGONISTS
  申请人：The Regents of the University of Michigan

  公开号：US20140148494A1

  公开（公告）日：2014-05-29

  Provided herein are compounds, compositions, and methods in the field of medicinal chemistry. The compounds and compositions provided herein relate to spiro-oxindoles which function as antagonists of the interaction between p53 and MDM2, and their use as therapeutics for the treatment of cancer and other diseases.

  本文提供了在药物化学领域中的化合物、组合物和方法。这些化合物和组合物与螺环氧吲哚有关，其作用是拮抗p53和MDM2之间的相互作用，并将其用作治疗癌症和其他疾病的治疗药物。
• [EN] 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS<br/>[FR] COMPOSÉS 2,8-DIAZASPIRO[4.5]DÉCANES
  申请人：GENENTECH INC

  公开号：WO2022253341A1

  公开（公告）日：2022-12-08

  Disclosed are 2, 8-diazaspiro [4.5] decane compounds, including (pyrido [3, 4-d] pyrimidin-4-yl) -2, 8-diazaspiro [4.5] decane compounds, (2, 6-naphthyridin-1-yl) -2, 8-diazaspiro [4.5] decane compounds, and (1, 7-naphthyridin-4-yl) -2, 8-diazaspiro [4.5] decane compounds, that are inhibitors of LATS1/2, compositions containing these compounds, and methods for inhibiting LATS1/2 activity.

  本发明涉及2,8-二氮杂螺[4.5]癸烷化合物，包括(吡啶并[3,4-d]嘧啶-4-基)-2,8-二氮杂螺[4.5]癸烷化合物，(2,6-萘啶基)-2,8-二氮杂螺[4.5]癸烷化合物，以及(1,7-萘啶基-4-基)-2,8-二氮杂螺[4.5]癸烷化合物，它们是LATS1/2的抑制剂，以及含有这些化合物的组合物和抑制LATS1/2活性的方法。