3,3-Dimethyl-pentanamid | 89855-16-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3,3-Dimethyl-pentanamid
• 英文别名: 3,3-dimethyl-valeric acid amide；3,3-Dimethyl-valeriansaeure-amid；3,4-dimethylisovaleramide；3,3-Dimethylpentanamide
• CAS: 89855-16-3
• 化学式: C₇H₁₅NO
• mdl: MFCD19204200
• 分子量: 129.202
• InChiKey: GTEXJHWORUNPND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3-Dimethyl-pentanamid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 3,3-Dimethyl-pentylamin
  参考文献：
  名称：

  Reactions of Acetylenes. II. Some Reactions of β-Ethynylcarboxylic Acids

  摘要：

  DOI：

  10.1021/jo01057a050
• 作为产物：
  描述：

  3,3-二甲基戊酸 生成 3,3-Dimethyl-pentanamid
  参考文献：
  名称：

  Reactions of Acetylenes. II. Some Reactions of β-Ethynylcarboxylic Acids

  摘要：

  DOI：

  10.1021/jo01057a050

文献信息

• 1,2-Di(cyclic)substituted benzene compounds
  申请人：Kawahara Tetsuya

  公开号：US20050261291A1

  公开（公告）日：2005-11-24

  In one aspect, the present invention provides compounds having formula (1) or (100), a salt thereof or a hydrate of the foregoing, which compounds exhibit excellent cell adhesion inhibitory action or cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome; rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis. wherein R10 represents optionally substituted cycloalkyl, etc., R20-23 represent hydrogen, alkyl, alkoxy, etc., R30-32 represent hydrogen, alkyl, oxo, etc., and R40 represents optionally substituted alkyl, etc.

  在一个方面，本发明提供具有式（1）或（100）的化合物，其盐或前述的水合物，这些化合物表现出优异的细胞粘附抑制作用或细胞浸润抑制作用，并且可用作治疗或预防与白细胞粘附和浸润相关的各种炎症性疾病和自身免疫疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征；类风湿性关节炎、牛皮癣、多发性硬化、哮喘和特应性皮炎。 其中R10代表可选择地取代的环烷基等，R20-23代表氢、烷基、烷氧基等，R30-32代表氢、烷基、氧代基等，R40代表可选择地取代的烷基等。
• MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20170114080A1

  公开（公告）日：2017-04-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• 2,3,4,9-Tetrahydro-1H-carbazoles
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1975159A1

  公开（公告）日：2008-10-01

  The present invention relates to 2,3,4,9-tetrahydro-1 H-carbazoles of the general formula I, in which Q, X, W, R1, R2, R3, R4 and R5 have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及通式I的2,3,4,9-四氢-1H-咔唑， 其中Q、X、W、R1、R2、R3、R4和R5的含义如描述中所定义。 根据本发明的化合物是有效的FSH拮抗剂，可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。
• [EN] MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF<br/>[FR] MODULATEURS DE L'INTERACTION SESTRINE-GATOR2 ET UTILISATIONS DE CES DERNIERS
  申请人：NAVITOR PHARM INC

  公开号：WO2018200625A1

  公开（公告）日：2018-11-01

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• [EN] 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS<br/>[FR] UTILISATION DE COMPOSES HETEROARYLES A SUBSTITUTION 3-ALKYLIDENEHYDRAZINO EN TANT QU'ACTIVATEURS DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004108683A1

  公开（公告）日：2004-12-16

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14; aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10; alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14; aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的结构式（1）如下：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基、化合物的互变异构体、前药或药学上可接受的盐或其溶剂化合物。