1-乙基-4-哌啶硫醇 | 276863-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-乙基-4-哌啶硫醇
• 英文名称: 1-ethylpiperidine-4-thiol
• 英文别名: 4-Piperidinethiol,1-ethyl-
• CAS: 276863-64-0
• 化学式: C₇H₁₅NS
• 分子量: 145.269
• InChiKey: SMLMGMIITRMLBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  4.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-乙基-4-哌啶硫醇 在 盐酸 、 sodium ethanolate 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 生成 5-Chloro-3-(1-ethyl-piperidin-4-ylsulfanyl)-1H-indole
  参考文献：
  名称：

  Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics

  摘要：

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00102-5
• 作为产物：
  描述：

  N-乙基-4-哌啶酮 在 硫化氢 、 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 生成 1-乙基-4-哌啶硫醇
  参考文献：
  名称：

  Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics

  摘要：

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00102-5

文献信息

• Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity
  作者：Tomoyoshi Imaizumi、Michinori Akaiwa、Tomoaki Abe、Takahiro Nigawara、Takanori Koike、Yoshiki Satake、Kazushi Watanabe、Osamu Kaneko、Yasushi Amano、Kenichi Mori、Yosuke Yamanaka、Takeyuki Nagashima、Masashi Shimazaki、Kazuyuki Kuramoto

  DOI：10.1016/j.bmc.2022.116949

  日期：2022.10

  demonstrated that a covalent binder to KRAS protein at a mutated cysteine residue (G12C) is effective for the treatment of solid tumors. Here, we report a series of 1-2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as potent covalent inhibitors against KRAS G12C identified throughout structural optimization of an acryloyl amine moiety to improve in vitro inhibitory activity. From an X-ray complex

  RAS蛋白在细胞增殖和分化中起关键作用。RAS 基因突变是人类癌症中致癌基因改变的已知驱动因素。RAS抑制是实体瘤的有效治疗方法，但RAS蛋白已被归类为不可成药的靶点。最近的报道表明，在突变的半胱氨酸残基 (G12C) 上与 KRAS 蛋白共价结合可有效治疗实体瘤。在这里，我们报告了一系列 1-2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one 衍生物作为针对 KRAS G12C 的有效共价抑制剂，在丙烯酰胺部分的结构优化过程中发现以提高体外抑制活性。从 X 射线复杂结构分析，1 -2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one 部分结合在 KRAS G12C 的 switch-II 口袋中。先导化合物 ( 5c ) 的进一步优化导致成功鉴定了 1-[7-[6-chloro-8-fluoro-7-(5-
• ADO-resistant cysteamine analogs and uses thereof
  申请人：HORIZON ORPHAN LLC

  公开号：US10906904B2

  公开（公告）日：2021-02-02

  The present disclosure is directed to methods for treating diseases for which cysteamine is indicated and compounds useful in such methods.

  本公开涉及治疗半胱胺可用于治疗的疾病的方法以及在这些方法中有用的化合物。
• [EN] TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR<br/>[FR] SULFONAMIDE SUBSTITUÉ PAR TRIFLUOROMÉTHYLE EN TANT QU'INHIBITEUR SÉLECTIF DE BCL-2<br/>[ZH] 三氟甲基取代的磺酰胺类选择性BCL-2抑制剂
  申请人：CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD

  公开号：WO2019185025A1

  公开（公告）日：2019-10-03

  涉及三氟甲基取代的磺酰胺类选择性BCL-2抑制剂，具体涉及式(I)化合物、其立体异构体或其药学上可接受的盐、以及含有这些化合物的药物组合物。还涉及这些化合物以及包含这些化合物的药物组合物在治疗与抗凋亡蛋白BCL-2相关疾病例如癌症中的用途。
• Use of Thiol Compounds to Treat Neurological Disease
  申请人：MERCAPTOR DISCOVERIES, INC.

  公开号：US20190029977A1

  公开（公告）日：2019-01-31

  The present disclosure relates, in general, to use of small diffusible thiols in the treatment of neurodegenerative diseases associated with glutamate excitotoxicity, protein aggregation and oxidative stress in the central nervous system, particularly in the brain.
• 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20200338075A1

  公开（公告）日：2020-10-29

  The present invention provides novel compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., lung cancer, breast cancer, leukemia, lymphoma, melanoma, multiple myeloma, Ewing's sarcoma, osteosarcoma, brain cancer, neuroblastoma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase (e.g. a protein kinase (e.g. a cyclin-dependent kinase (CDK) (e.g. CDK7, CDK12, or CDK13) or a lipid kinase such as a phosphatidylinositol-5-phosphate 4-kinase (PIP4K) (e.g., PI5P4Kα, PI5P4Kβ, or PI5P4Kγ)) in the subject.