N-(仲丁基)异丁酰胺 | 6282-86-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(仲丁基)异丁酰胺
• 英文名称: N-s-Butyl-isobutyramide
• 英文别名: N-butan-2-yl-2-methylpropanamide
• CAS: 6282-86-6
• 化学式: C₈H₁₇NO
• mdl: MFCD01214207
• 分子量: 143.229
• InChiKey: UYGVTFVGFQHCDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(仲丁基)异丁酰胺 在 lithium aluminium deuteride 作用下， 以 various solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Unimolecular reactions of the isolated immonium ions CH3CH = NH+C4H9, CH3CH2Ch = NH+C4H9 and (CH3)2C = NH+C4H9

  摘要：

  AbstractThe reactions of ten metastable immonium ions of general structure R1R2CNH+C4H9 (R1 = H, R2 = CH3, C2H5; R1 = R2 = CH3) are reported and discussed. Elimination of C4H8 is usually the dominant fragmentation pathway. This process gives rise to a Gaussian metastable peak; it is interpreted in terms of a mechanism involving ion‐neutral complexes containing incipient butyl) cations. Metastable immonium ions ontaining an isobutyl group are unique in undergoing a minor amount of imine (R1R2CNH) loss. This decomposition route, which also produces a Gaussian metastable peak, decreases in importance as the basicity of the imine increases. The correlation between imine loss and the presence of an isobutyl group is rationalized by the rearrangement of the appropriate ion‐neutral complexes in which there are isobutyl cations to the isomeric complexes containing the thermodynamically more stable tert‐butyl cations. A sizeable amount of a third reaction, expulsion of C3H6, is observed for metastable n‐C4H9 +NHCR1R2 ions; in contrast to C4H8 and R1R2CNH loss, C3H6 elimination occurs with a large kinetic energy release (40–48 kJ mol−1) and is evidenced by a dish‐topped metastable peak. This process is explained using a two‐step mechanism involving a 1,5‐hydride shift, followed by cleavage of the resultant secondary open‐chain cations, CH3CH+ CH2CH2NHCHR1R2.

  DOI：

  10.1002/oms.1210251005

文献信息

• SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS
  申请人：BLUM Andreas

  公开号：US20150005278A1

  公开（公告）日：2015-01-01

  This invention relates to novel sulfoximine substituted quinazoline derivatives of formula I wherein Ar, R 1 and R 2 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  本发明涉及一类新型的.sulfoximine取代喹唑啉衍生物，其通式为I，其中Ar，R1和R2定义如说明和权利要求中所述，以及它们作为MNK1 (MNK1a或MNK1b)和/或MNK2 (MNK2a或MNK2b)激酶抑制剂的应用，包含同一的药物组合物，以及使用它们作为治疗或改善MNK1 (MNK1a或MNK1b)和/或MNK2 (MNK2a或MNK2b)介导的疾病的剂的方法。
• [EN] INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE L'INTÉGRINE ALPHA 2 BÊTA 1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2021222789A1

  公开（公告）日：2021-11-04

  Disclosed herein, inter alia, are inhibitors of alpha 2 beta 1 integrin and methods of using the same.

  本公开的内容包括阿尔法2贝塔1整合素的抑制剂以及使用这些抑制剂的方法。
• 2-Sulfinyl and 2-sulfonyl oxazoles
  申请人：Lilly Industries Limited

  公开号：US04143047A1

  公开（公告）日：1979-03-06

  Oxazoles having a sulfinyl or sulfonyl substituent at the 2-position are provided. Such compounds readily react with an alkali metal salt of a secondary amide in a method of making 2-acylamino oxazole derivatives having anti-allergic activity.

  在2-位具有磺酰基或磺酰基取代基的噁唑类化合物中提供。这类化合物可以与二级酰胺的碱金属盐发生反应，制备具有抗过敏活性的2-酰氨基噁唑衍生物的方法。
• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Zhu Yun-Fei

  公开号：US20070208049A1

  公开（公告）日：2007-09-06

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein A, Q, R 1 , R 2 , R 3a , R 3b , R 4 , R 5 , R 6 and n are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了GnRH受体拮抗剂，其在治疗男女性激素相关疾病方面具有用途。本发明的化合物具有以下结构：其中A、Q、R1、R2、R3a、R3b、R4、R5、R6和n的定义如本文所述，包括立体异构体、前药和其药学上可接受的盐。本发明还揭示了含有本发明化合物与药学上可接受的载体组合的组合物，以及与其相关的方法，用于在需要时对抗促性腺激素释放激素。
• HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150011532A1

  公开（公告）日：2015-01-08

  Compounds having the following formula: wherein A is, or; and X is N or C—R 7 , or an enantiomer, diastereomer or a pharmaceutically-acceptable salt thereof, are useful as kinase modulators, including IRAK-4 modulation.

  具有以下式子的化合物：其中A是或；而X是N或C—R7，或其对映异构体、顺反异构体或药学上可接受的盐，可用作激酶调节剂，包括IRAK-4调节。