1-丁酮,1,1'-[6,7,9,10,17,18,20,21-八氢二苯并[b,k][1,4,7,10,13,16]六噁环十八英-2,13(或2,14)-二基]二[3-甲基-(9CI) | 170654-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-丁酮,1,1'-[6,7,9,10,17,18,20,21-八氢二苯并[b,k][1,4,7,10,13,16]六噁环十八英-2,13(或2,14)-二基]二[3-甲基-(9CI)
• 中文别名: 1-甲基-3-(2-甲基-2-丙基)哌嗪；氨基甲酸[3-(2-丙炔基氨基)丙基]-，1,1-二甲基乙酯(9CI)
• 英文名称: 3-tert-Butyl-1-methyl-piperazine
• 英文别名: 3-Tert-butyl-1-methylpiperazine
• CAS: 170654-21-4
• 化学式: C₉H₂₀N₂
• 分子量: 156.271
• InChiKey: JUYGOAGUPDFXFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 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：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  叔丁基锂 、 1-Methyl-4-trifluoromethanesulfonyl-piperazine 以 四氢呋喃 为溶剂， 反应 3.0h， 以70%的产率得到1-丁酮,1,1'-[6,7,9,10,17,18,20,21-八氢二苯并[b,k][1,4,7,10,13,16]六噁环十八英-2,13(或2,14)-二基]二[3-甲基-(9CI)
  参考文献：
  名称：

  Triflamides: Elimination of the triflyl anion versus substitution of the trifluoromethide group

  摘要：

  Base-induced elimination of CF3SO2- and nucleophilic substitution of CF3- were observed in the reaction of secondary triflamides with alkyllithium reagents.

  DOI：

  10.1016/0040-4039(95)01266-k

文献信息

• Kinase inhibitors
  申请人：Chan Tin-Yau

  公开号：US20080004257A1

  公开（公告）日：2008-01-03

  A compound having the general structure of Formula (I): or a pharmaceutically acceptable salt, solvate, or ester thereof, are useful in treating diseases, disorders, or conditions such as immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease.

  具有公式（I）一般结构的化合物，或其药学上可接受的盐、溶剂或酯，可用于治疗免疫缺陷、癌症、心血管疾病、内分泌紊乱、帕金森病、代谢性疾病、肿瘤发生、阿尔茨海默病、心脏病、糖尿病、神经退行性疾病、炎症、肾脏疾病、动脉硬化和气道疾病等疾病、障碍或状况的治疗。
• DUAL-WARHEAD COVALENT INHIBITORS OF FGFR-4
  申请人：Newave Pharmaceutical Inc.

  公开号：US20170305918A1

  公开（公告）日：2017-10-26

  The disclosure includes compounds of Formula (I) wherein Warhead1, Warhead2, R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , Q, A, B, p, q, Z 1 , Z 2 , Z 3 , and Z 4 are defined herein. Also disclosed is a method for treating a neoplastic disease with these compounds.
• PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US20210078962A1

  公开（公告）日：2021-03-18

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.
• PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS
  申请人：Biohaven Pharmaceutical Holding Company Limited (B

  公开号：US20220072006A1

  公开（公告）日：2022-03-10

  Pharmaceutical compositions of the invention include substituted riluzole pro drugs useful for the treatment of amyotrophic lateral sclerosis (ALS) and related disorders through the release of riluzole, especially to avoid patient to patient variability in first pass, hepatic metabolism promoted by Cyp 1A2. Pro-drugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process. The invention further includes pro-drugs of riluzole useful for the treatment of disease states that can be treated with riluzole through the release of riluzole from a pro-drug agent.
• US7528132B2
  申请人：——

  公开号：US7528132B2

  公开（公告）日：2009-05-05