1-Mercaptocyclohexane-1-methylamine | 59681-08-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 1-Mercaptocyclohexane-1-methylamine
• 英文别名: 1-(aminomethyl)cyclohexane-1-thiol；1-Mercapto-1-aminomethyl-cyclohexan；1-Aminomethyl-1-thiocyclohexanol
• CAS: 59681-08-2
• 化学式: C₇H₁₅NS
• mdl: MFCD19205364
• 分子量: 145.269
• InChiKey: MUNPXMUIIQTXPW-UHFFFAOYSA-N

物化性质

• 沸点：
  220.6±13.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 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：
  27
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Mercaptocyclohexane-1-methylamine 在 甲酸 、 双氧水 作用下， 反应 36.0h， 生成 1-aminomethylcyclohexane-1-sulfonic acid
  参考文献：
  名称：

  Comprehensive analysis of pathway or functionally related gene expression in the National Cancer Institute's anticancer screen

  摘要：

  We have analyzed the level of gene coregulation, using gene expression patterns measured across the National Cancer Institute's 60 tumor cell panels (NCI60), in the context of predefined pathways or functional categories annotated by KEGG (Kyoto Encyclopedia of Genes and Genomes), BioCarta, and GO (Gene Ontology). Statistical methods were used to evaluate the level of gene expression coherence (coordinated expression) by comparing intra- and interpathway gene-gene correlations. Our results show that gene expression in pathways, or groups of functionally related genes, has a significantly higher level of coherence than that of a randomly selected set of genes. Transcriptional-level gene regulation appears to be on a "need to be" basis, such that pathways comprising genes encoding closely interacting proteins and pathways responsible for vital cellular processes or processes that are related to growth or proliferation, specifically in cancer cells, such as those engaged in genetic information processing, cell cycle, energy metabolism, and nucleotide metabolism, tend to be more modular (lower degree of gene sharing) and to have genes significantly more coherently expressed than most signaling and regular metabolic pathways. Hierarchical clustering of pathways based on their differential gene expression in the NCI60 further revealed interesting interpathway communications or interactions indicative of a higher level of pathway regulation. The knowledge of the nature of gene expression regulation and biological pathways can be applied to understanding the mechanism by which small drug molecules interfere with biological systems. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.ygeno.2005.11.011
• 作为产物：
  描述：

  1-thiaspiro<2.5>octane 在 氨 、 silver nitrate 、 盐酸 、 sodium sulfide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 1-Mercaptocyclohexane-1-methylamine
  参考文献：
  名称：

  Comprehensive analysis of pathway or functionally related gene expression in the National Cancer Institute's anticancer screen

  摘要：

  We have analyzed the level of gene coregulation, using gene expression patterns measured across the National Cancer Institute's 60 tumor cell panels (NCI60), in the context of predefined pathways or functional categories annotated by KEGG (Kyoto Encyclopedia of Genes and Genomes), BioCarta, and GO (Gene Ontology). Statistical methods were used to evaluate the level of gene expression coherence (coordinated expression) by comparing intra- and interpathway gene-gene correlations. Our results show that gene expression in pathways, or groups of functionally related genes, has a significantly higher level of coherence than that of a randomly selected set of genes. Transcriptional-level gene regulation appears to be on a "need to be" basis, such that pathways comprising genes encoding closely interacting proteins and pathways responsible for vital cellular processes or processes that are related to growth or proliferation, specifically in cancer cells, such as those engaged in genetic information processing, cell cycle, energy metabolism, and nucleotide metabolism, tend to be more modular (lower degree of gene sharing) and to have genes significantly more coherently expressed than most signaling and regular metabolic pathways. Hierarchical clustering of pathways based on their differential gene expression in the NCI60 further revealed interesting interpathway communications or interactions indicative of a higher level of pathway regulation. The knowledge of the nature of gene expression regulation and biological pathways can be applied to understanding the mechanism by which small drug molecules interfere with biological systems. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.ygeno.2005.11.011

文献信息

• Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use
  申请人：——

  公开号：US20020143007A1

  公开（公告）日：2002-10-03

  The present invention describes novel nitrosated and/or nitrosylated &agr;-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated &agr;-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one &agr;-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型硝化和/或硝基化α-肾上腺素受体拮抗剂，以及包含至少一种硝化和/或硝基化α-肾上腺素受体拮抗剂的新型组合物，以及可选地包含一种或多种捐赠、转移或释放一氧化氮、提高内源性内皮衍生松弛因子水平、刺激内源性一氧化氮合成或是一氧化氮合成酶底物的化合物，和/或一种或多种血管活性药物。本发明还提供了包含至少一种α-肾上腺素受体拮抗剂和一种或多种捐赠、转移或释放一氧化氮、提高内源性内皮衍生松弛因子水平、刺激内源性一氧化氮合成或是一氧化氮合成酶底物，和/或一种或多种血管活性药物的新型组合物。本发明还提供了用于治疗或预防男性和女性的性功能障碍、增强男性和女性的性反应，以及治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（Printzmetal）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、急迫性尿失禁或过度活跃膀胱，以及逆转麻醉状态的方法。
• [DE] SUBSTITUIERTE 8-AMINOALKYLTHIO-XANTHINE, UND IHRER VERWENDUNG ALS INHIBITOREN DER DIPEPTIDYL PEPTIDASE IV<br/>[EN] SUBSTITUTED 8-AMINOALKYLTHIO-XANTHINES, AND THE USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV<br/>[FR] 8-AMINOALKYLTHIO-XANTHINES SUBSTITUEES ET LEUR UTILISATION COMME INHIBITEURS DE LA DIPEPTIDYLPEPTIDASE IV
  申请人：SANOFI AVENTIS DEUTSCHLAND

  公开号：WO2006015691A1

  公开（公告）日：2006-02-16

  8-Aminoalkylthio-xanthine, Verfahren zu ihrer Herstellung und ihre Verwendung als Arzneimittel Die Erfindung betrifft substituierte 8-Aminoalkylthio-xanthine sowie deren physiologisch verträgliche Salze und physiologisch funktionelle Derivate. Die Erfindung betrifft Verbindungen der Formel (I), worin die Reste die angegebenen Bedeutungen haben, sowie deren physiologisch verträgliche Salze. Die Verbindungen eignen sich z.B. als Medikamente zur Prävention und Behandlung von Diabetes Typ 2.

  8-氨基烷基硫代黄嘌呤，其制备方法及作为药物的用途。 该发明涉及取代的8-氨基烷基硫代黄嘌呤以及其生理相容盐和生理功能衍生物。 该发明涉及式（I）的化合物，其中残基具有所述的含义，以及它们的生理相容盐。 例如，这些化合物可用作预防和治疗2型糖尿病的药物。
• Nitric oxide donors, compositions and methods of use related applications
  申请人：——

  公开号：US20030203915A1

  公开（公告）日：2003-10-30

  The invention describes novel nitric oxide donors and novel compositions comprising at least one nitric oxide donor. The invention also provides novel compositions comprising at least one nitric oxide donor, and, optionally, at least one therapeutic agent. The compounds and compositions of the invention can also be bound to a matrix. The invention also provides methods for treating cardiovascular diseases, for the inhibition of platelet aggregation and platelet adhesion caused by the exposure of blood to a medical device, for treating pathological conditions resulting from abnormal cell proliferation; transplantation rejections, autoimmune, inflammatory, proliferative, hyperproliferative, vascular diseases; for reducing scar tissue or for inhibiting wound contraction, particularly the prophylactic and/or therapeutic treatment of restenosis by administering the nitric oxide donor optionally in combination with at least one therapeutic agent. The invention also provides methods for treating inflammation, pain, fever, gastrointestinal disorders, respiratory disorders and sexual dysfunctions. The nitric oxide donors donate, transfer or release nitric oxide, and/or elevate endogenous levels of endothelium-derived relaxing factor, and/or stimulate endogenous synthesis of nitric oxide and/or are substrates for nitric oxide synthase and are capable of releasing nitric oxide or indirectly delivering or transferring nitric oxide to targeted sites under physiological conditions. The therapeutic agent can optionally be substituted with at least one NO and/or NO 2 group (i.e., nitrosylated and/or nitrosated). The invention also provides novel compositions and kits comprising at least one nitric oxide donor and/or at least one therapeutic agent.

  该发明描述了新颖的一氧化氮供体和至少含有一个一氧化氮供体的新型组合物。该发明还提供了至少含有一个一氧化氮供体的新型组合物，以及可选地至少含有一个治疗剂。该发明的化合物和组合物也可以与基质结合。该发明还提供了治疗心血管疾病的方法，用于抑制血液暴露于医疗器械引起的血小板聚集和血小板粘附，用于治疗由于异常细胞增殖导致的病理状况；移植排斥、自身免疫、炎症、增殖、过度增殖、血管疾病；用于减少瘢痕组织或抑制伤口收缩，特别是通过给予一氧化氮供体的预防性和/或治疗性治疗以及至少一个治疗剂的组合来治疗再狭窄的方法。该发明还提供了治疗炎症、疼痛、发热、胃肠道疾病、呼吸道疾病和性功能障碍的方法。一氧化氮供体可以捐赠、转移或释放一氧化氮，并/或提高内源性内皮血管舒张因子的水平，并/或刺激内源性一氧化氮的合成和/或是一氧化氮合酶的底物，能够在生理条件下释放一氧化氮或间接地将一氧化氮传递或转移至靶向部位。治疗剂可以选择性地用至少一个NO和/或NO2基（即亚硝基化和/或亚硝化）替代。该发明还提供了至少含有一个一氧化氮供体和/或至少一个治疗剂的新型组合物和试剂盒。
• [EN] NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE<br/>[FR] ANTAGONISTES NITROSES ET NITROSYLES DES RECEPTEURS ALPHA-ADRENERGIQUES, COMPOSITIONS ET METHODES D'UTILISATION
  申请人：NITROMED INC

  公开号：WO2000012075A1

  公开（公告）日：2000-03-09

  The present invention describes novel nitrosated and/or nitrosylated α-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated α-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one α-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型的硝化和/或亚硝化α-肾上腺素受体拮抗剂，以及至少包含一种硝化和/或亚硝化α-肾上腺素受体拮抗剂的新型组合物，以及可选地，一个或多个化合物，它们捐赠、转移或释放一氧化氮，提高内皮源性松弛因子的内源水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，和/或一个或多个血管活性药物。本发明还提供了至少包含一种α-肾上腺素受体拮抗剂、一个或多个化合物，它们捐赠、转移或释放一氧化氮，提高内皮源性松弛因子的内源水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，和/或一个或多个血管活性药物的新型组合物。本发明还提供了用于治疗或预防男女性功能障碍，增强男女性反应，治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（普林兹金属）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、压力性尿失禁或过度活动性膀胱，以及逆转麻醉状态的方法。
• Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds
  申请人：Garvey S. David

  公开号：US20050187222A1

  公开（公告）日：2005-08-25

  The present invention describes novel nitrosated and/or nitrosylated α-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated α-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one α-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型的硝化和/或亚硝化α-肾上腺素受体拮抗剂，以及包含至少一种硝化和/或亚硝化α-肾上腺素受体拮抗剂的新型组合物，以及可选地，一种或多种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物的化合物和/或一种或多种血管活性剂。本发明还提供了包含至少一种α-肾上腺素受体拮抗剂和一种或多种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物和/或一种或多种血管活性剂的新型组合物。本发明还提供了用于治疗或预防男女性功能障碍、增强男女性反应、治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（Printzmetal）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、切欲性尿失禁或膀胱过度活动，并逆转麻醉状态的方法。