3-Dimethylamino-N-iso-Propylpropanamide | 196805-57-9

• 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
• 英文名称: 3-Dimethylamino-N-iso-Propylpropanamide
• 英文别名: 3-dimethylamino-N-isopropylpropanamide；3-(dimethylamino)-N-propan-2-ylpropanamide
• CAS: 196805-57-9
• 化学式: C₈H₁₈N₂O
• 分子量: 158.244
• InChiKey: KCCTXRLHDDLCIN-UHFFFAOYSA-N

物化性质

• 沸点：
  270.8±23.0 °C(Predicted)
• 密度：
  0.908±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(二甲氨基)丙酸甲酯 、 异丙胺 、 sodium methylate 在 异丙胺 作用下， 反应 72.0h， 以leaving 3-dimethylamino-N-isopropylpropanamide (155 g) as a pale yellow oil的产率得到3-Dimethylamino-N-iso-Propylpropanamide
  参考文献：
  名称：

  Production of acrylic monomers

  摘要：

  一种制备化合物（1）和化合物（2）混合物的方法，其中R1是可选取代的C1-20烷基，可选取代的C3-4烯基，可选取代的C5-7环烷基或可选取代的苄基，R2是可选取代的C1-20烷基，可选取代的C3-4烯基或可选取代的C5-7环烷基，A为S或NR3，R3是可选取代的C1-20烷基，可选取代的C3-4烯基或可选取代的C5-7环烷基，或R2和R3共同形成一个可包含氧原子的5-7环，R4为氢或甲基，R5是可选取代的C1-20烷基，可选取代的C3-4烯基，可选取代的C5-7环烷基或可选取代的苄基，R6为氢或可选取代的C1-20烷基，可选取代的C3-4烯基或可选取代的C5-7环烷基，或R5和R6共同形成一个可包含氧原子的5-7环，包括在碱性或碱性介质中反应式（3）的化合物，其中X-是阴离子，R1、R2、R3、R4、R5和R6的含义与上述相同，A+为S+或N+R3。

  公开号：

  US06506939B1

文献信息

• Amine Cationic Lipids and Uses Thereof
  申请人：Dicerna Pharmaceuticals, Inc.

  公开号：US20140371293A1

  公开（公告）日：2014-12-18

  The present invention relates to lipid compounds and uses thereof. In particular, the compounds include a class of cationic lipids having an amine moiety, such as an amino-amine or an amino-amide moiety. The lipid compounds are useful for in vivo or in vitro delivery of one or more agents (e.g., a polyanionic payload or an antisense payload, such as an RNAi agent).

  本发明涉及脂质化合物及其用途。具体而言，这些化合物包括一类具有胺基团的阳离子脂质，例如氨基-胺或氨基-酰胺基团。这些脂质化合物可用于体内或体外传递一个或多个药物（例如，多聚阴离子荷载物或反义荷载物，如RNAi药物）。
• ERK INHIBITORS AND USES THEREOF
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20140228322A1

  公开（公告）日：2014-08-14

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

  本发明提供了化合物、其组合物以及使用它们的方法。
• Production of acrylic monomers
  申请人：Ciba Specialty Chemicals Water Treatments Ltd.

  公开号：US06506939B1

  公开（公告）日：2003-01-14

  A process for the preparation of a mixture comprising a compound of formula (1) and a compound of formula (2) wherein R1 is an optionally substituted C1-20 alkyl, optionally substituted C3-4 alkenyl, optionally substituted C5-7 cycloalkyl or optionally substituted benzyl, R2 is an optionally substituted C1-20 alkyl, optionally substituted C3-4 alkenyl or optionally substituted C5-7 cycloalkyl, A is either S or NR3, R3 is an optionally substituted C1-20 alkyl, optionally substituted C3-4 alkenyl or optionally substituted C5-7 cycloalkyl, or R2 and R3 together form a 5-7 membered ring which can contain an oxygen atom, R4 is hydrogen or methyl, R5 is an optionally substituted C1-20 alkyl, optionally substituted C3-4 alkenyl, optionally substituted C5-7 cycloalkyl or optionally substituted benzyl and, R6 is hydrogen or an optionally substituted C1-20 alkyl, optionally substituted C3-4 alkenyl or optionally substituted C5-7 cycloalkyl, or R5 and R6 together form a 5-7 membered ring which can contain an oxygen atom, which comprises reacting in an alkaline or base medium a compound of formula (3) wherein X− is an anion, R1, R2, R3, R4, R5 and R6 have the same meaning as above, A+ is S+ or N+R3.

  一种制备化合物（1）和化合物（2）混合物的方法，其中R1是可选取代的C1-20烷基，可选取代的C3-4烯基，可选取代的C5-7环烷基或可选取代的苄基，R2是可选取代的C1-20烷基，可选取代的C3-4烯基或可选取代的C5-7环烷基，A为S或NR3，R3是可选取代的C1-20烷基，可选取代的C3-4烯基或可选取代的C5-7环烷基，或R2和R3共同形成一个可包含氧原子的5-7环，R4为氢或甲基，R5是可选取代的C1-20烷基，可选取代的C3-4烯基，可选取代的C5-7环烷基或可选取代的苄基，R6为氢或可选取代的C1-20烷基，可选取代的C3-4烯基或可选取代的C5-7环烷基，或R5和R6共同形成一个可包含氧原子的5-7环，包括在碱性或碱性介质中反应式（3）的化合物，其中X-是阴离子，R1、R2、R3、R4、R5和R6的含义与上述相同，A+为S+或N+R3。
• COMPOUNDS USEFUL FOR INHIBITING CHK1
  申请人：Keegan Kathleen S.

  公开号：US20100105683A1

  公开（公告）日：2010-04-29

  Aryl- and heteroaryl-substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed.

  本发明公开了用于治疗与DNA损伤或DNA复制中的损伤有关的疾病和病症的芳基和杂环基取代脲化合物。本发明还公开了制备该化合物的方法以及它们作为治疗剂的用途，例如，在治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病中。
• HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF
  申请人：Suzhou Yunxuan Yiyao Keji Youxian Gongsi

  公开号：US20160024095A1

  公开（公告）日：2016-01-28

  The hedgehog (Hh) signaling pathway is a pathway which regulates patterning, growth and cell migration during embryonic development, but in adulthood is limited to tissue maintenance and repair. Mutational inactivation of the inhibitory pathway components leads to constitutive ligand-independent activation of the Hh signaling pathway, results in cancers such as basal cell carcinoma and medulloblastoma. Ligand-dependent activation of Hh signaling is involved in prostate cancer, pancreatic cancer, breast cancer and some blood cancers. Therefore, inhibition of the aberrant Hh signaling represents a promising approach toward novel anticancer therapy. The present invention provides novel molecules of formula I that inhibit hedgehog pathway signaling and provides therapeutic applications for the treatment of malignancies (basal cell carcinoma, medulloblastoma, glioblastoma, non-small cell lung cancer, prostate cancer, pancreatic cancer, blood cancers, mesenchymal cancers, etc.), prevention of tumor regrowth, sensitization of radio-chemo therapies, and other diseases (inflammation, fibrosis and immune disorders) related to hedgehog signaling.

  刺猬（Hh）信号通路是一种在胚胎发育期间调节模式、生长和细胞迁移的通路，但在成年后仅限于组织维护和修复。抑制通路成分的突变失活导致Hh信号通路的构成性配体无关激活，导致基底细胞癌和髓母细胞瘤等癌症。Hh信号的配体依赖性激活涉及前列腺癌、胰腺癌、乳腺癌和一些血液癌症。因此，抑制异常的Hh信号是一种有前途的新型抗癌治疗方法。本发明提供了公式I的新型分子，可以抑制刺猬通路信号，并提供治疗恶性肿瘤（基底细胞癌、髓母细胞瘤、胶质母细胞瘤、非小细胞肺癌、前列腺癌、胰腺癌、血液癌症、间叶癌症等），预防肿瘤再生长，增强放化疗的敏感性，以及与刺猬信号相关的其他疾病（炎症、纤维化和免疫障碍）的治疗应用。