NoName_3249 | 90726-06-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: NoName_3249
• 英文别名: N,N,3-trimethylcyclohexan-1-amine
• CAS: 90726-06-0
• 化学式: C₉H₁₉N
• 分子量: 141.257
• InChiKey: APSXOSQBWRDGQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 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：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 3-甲基环己酮 在 zirconium(IV) oxide 作用下， 160.0 ℃ 、300.01 kPa 条件下， 反应 6.0h， 生成 NoName_3249
  参考文献：
  名称：

  以四方二氧化锆为多相催化剂对脂肪醛和脂环族酮的选择性还原胺化

  摘要：

  以四方二氧化锆（t -ZrO 2）为催化剂，可实现脂肪族醛和脂环族酮的选择性还原胺化。当使用N，N-二甲基甲酰胺（DMF）作为溶剂，低分子量胺源和还原剂时，N，N-二甲基戊-1-胺或N，N-二甲基环己胺的收率超过99％。正戊醛或环己酮用作底物。特别地，晶体结构对催化性能表现出显着影响，其中四方晶体优选于在还原胺化反应过程中是单斜的。另外，催化剂的再循环实验表明，即使被重复使用五次，t -ZrO 2仍保持高催化活性。从DFT计算的结果可以得出结论，二氧化锆的晶体与催化剂和吸附的反应物之间的电荷转移速率密切相关。最后，根据实验现象和模拟结果，提出了可能的环己酮还原胺化反应机理。

  DOI：

  10.1016/j.mcat.2020.111108

文献信息

• Photometric Characterization of the Reductive Amination Scope of the Imine Reductases from<i>Streptomyces tsukubaensis</i>and<i>Streptomyces ipomoeae</i>
  作者：Philipp Matzel、Lukas Krautschick、Matthias Höhne

  DOI：10.1002/cbic.201700257

  日期：2017.10.18

  reductive amination catalyzed by two promising imine reductases is established in a rapid photometric NADPH assay. Substrates ranging from aldehydes to ketones and from primary to secondary amines are accepted, thus giving access to various secondary and tertiary amine products.

  两种酶663种组合：在快速光度NADPH分析中确定了由两种有前途的亚胺还原酶催化的还原胺化中的底物范围。可以接受从醛到酮以及从伯胺到仲胺的各种底物，因此可以使用各种仲胺和叔胺产品。
• [EN] TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DU FACTEUR DE TRANSCRIPTION À DOMAINE ASSOCIÉ TRANSCRIPTIONNEL AMÉLIORÉ (TEAD) ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2020081572A1

  公开（公告）日：2020-04-23

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, compositions, and mixtures thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing diseases (e.g., proliferative diseases (e.g., cancers, such as carcinoma, sarcoma, lung cancer, thyroid cancer, skin cancer, ovarian cancer, colorectal cancer, prostate cancer, pancreatic cancer, esophageal cancer, liver cancer, breast cancer)) in a subject. Provided are methods of inhibiting a TEAD transcription factors (e.g., TEAD1, TEAD2, TEAD3, TEAD4) in a subject.

  本文提供了式（I）的化合物，以及药用盐、溶剂合物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记衍生物、前药、组合物和混合物。还提供了涉及创新化合物或组合物的治疗和/或预防疾病（如增殖性疾病（如癌症，如癌症，肉瘤，肺癌，甲状腺癌，皮肤癌，卵巢癌，结直肠癌，前列腺癌，胰腺癌，食管癌，肝癌，乳腺癌））的方法和试剂盒。提供了在受试者中抑制TEAD转录因子（如TEAD1、TEAD2、TEAD3、TEAD4）的方法。
• [EN] KRAS MUTANT PROTEIN INHIBITOR<br/>[FR] INHIBITEUR DE PROTÉINE MUTANTE KRAS
  申请人：JACOBIO PHARMACEUTICALS CO LTD

  公开号：WO2021023247A1

  公开（公告）日：2021-02-11

  A KRAS mutant protein inhibitor, as shown by formula (I), a composition containing the inhibitor and the use thereof.

  一种KRAS突变蛋白抑制剂，如公式(I)所示，含有该抑制剂的组合物及其用途。
• Boosting Mass Exchange between Pd/NC and MoC/NC Dual Junctions via Electron Exchange for Cascade CO₂ Fixation
  作者：Dong Xu、Xiu Lin、Qi-Yuan Li、Shi-Nan Zhang、Si-Yuan Xia、Guang-Yao Zhai、Jie-Sheng Chen、Xin-Hao Li

  DOI：10.1021/jacs.1c12986

  日期：2022.3.30
• INHIBITORS OF PROTEIN KINASES
  申请人：PORTOLA PHARMACEUTICALS, INC.

  公开号：US20180186783A1

  公开（公告）日：2018-07-05

  The present invention is directed to compounds of formula I-II and pharmaceutically acceptable tautomers, salts, or stereoisomers thereof which are inhibitors of syk and/or JAK kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk and/or JAK kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk and/or JAK kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.