CH3NHCON(i-C3H7)2 | 57883-81-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: CH3NHCON(i-C3H7)2
• 英文别名: 1,1-Diisopropyl-3-methylurea；3-methyl-1,1-di(propan-2-yl)urea
• CAS: 57883-81-5
• 化学式: C₈H₁₈N₂O
• 分子量: 158.244
• InChiKey: KLQJNOCNJVNMGM-UHFFFAOYSA-N

物化性质

• 沸点：
  276.4±9.0 °C(Predicted)
• 密度：
  0.906±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 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：
  1

反应信息

• 作为反应物：
  描述：

  CH3NHCON(i-C3H7)2 在 硫酸 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 以81%的产率得到N-Methyl-N',N'-diisopropyl-N-nitrosourea
  参考文献：
  名称：

  Conformational preferences in alkylnitrosoureas

  摘要：

  DOI：

  10.1021/jo01293a023
• 作为产物：
  描述：

  1-Benzyl-3,3-diisopropyl-1-methyl-urea 在 萘 、 水 、 lithium 作用下， 生成 CH3NHCON(i-C3H7)2
  参考文献：
  名称：

  Reductive deprotection of allyl, benzyl and sulfonyl substituted alcohols, amines and amides using a naphthalene-catalysed lithiation

  摘要：

  The reaction of different protected alcohols, amines and amides with lithium and a catalytic amount of naphthalene (4 mol %) in THF at low temperature leads to their deprotection under very mild reaction conditions, the process being in many cases chemoselective. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00920-4

文献信息

• The Steric Effects of Alkyl Groups on the N–H Stretching Vibrations and the Rotational Isomerism of Alkylureas
  作者：Yoshiyuki Mido、Tamotsu Gohda

  DOI：10.1246/bcsj.48.2704

  日期：1975.10

  of the trans N–H band. It was also observed that the larger the effective size of the R′ group on R2UR′ is, the stronger the intensity of the additional band becomes. It was concluded, in connection with the rotational isomerism of dialkylureas, that the additional band arises from a form in which the N–H group is out of the skeletal plane.

  研究了各种三烷基脲 R2UR' 在稀溶液中的自由 N-H 伸缩振动，以解决我们关于二烷基脲旋转异构的问题。在 R2UR' 的红外光谱中，其中 R 是异丙基或环己基，在反式 N-H 带的高频侧出现了一个额外的 N-H 带。还观察到R2UR'上R'基团的有效尺寸越大，附加带的强度变得越强。与二烷基脲的旋转异构相关的结论是，附加带是由 N-H 基团在骨架平面之外的形式产生的。
• Two cyclic cinnamide compound
  申请人：Kimura Teiji

  公开号：US20070117839A1

  公开（公告）日：2007-05-24

  The present invention relates to a novel two cyclic cinnamide compound and a pharmaceutical agent comprising the compound as an active ingredient. The two cyclic cinnamide compound represented by the general formula (I): wherein represents a single bond or a double bond; Ar 1 represents a phenyl group or pyridinyl group that may be substituted with 1 to 3 substituents; R 1 and R 2 each represent a C1-6 alkyl group, a hydroxyl group, or the like; Z 1 represents a methylene group or vinylene group, which may be substituted with 1 or 2 substituents selected from Substituent Group A1, an oxygen atom, or an imino group that may be substituted with a substituent selected from Substituent Group A1; and p, q, and r each represent an integer of 0 to 2, which has an effect of reducing Aβ40 and Aβ42 production, and thus is particularly useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ such as Alzheimer's disease or Down's syndrome.

  本发明涉及一种新型的二环丙烯酰胺化合物和包含该化合物作为活性成分的药物。所述二环丙烯酰胺化合物由通式（I）表示：其中，表示单键或双键；Ar1表示苯基或吡啶基，可以被1至3个取代基取代；R1和R2分别表示C1-6烷基、羟基或类似物；Z1表示亚甲基或乙烯基，可以被从取代基A1中选择的1或2个取代基、氧原子或取代基A1选择的亚胺基取代；p、q和r分别表示0至2的整数，具有降低Aβ40和Aβ42生成的作用，因此特别适用于作为预防或治疗Aβ引起的神经退行性疾病，如阿尔茨海默病或唐氏综合症的药物。
• INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY
  申请人：MethylGene Inc.

  公开号：US20130165477A1

  公开（公告）日：2013-06-27

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。特别是，本发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，从而抑制受体信号传导，例如抑制VEGF受体信号和HGF受体信号的传导。更具体地，本发明涉及用于抑制VEGF受体信号和HGF受体信号的化合物、组合物和方法。本发明还提供了用于治疗细胞增殖性疾病和病状的组合物和方法。
• TWO CYCLIC CINNAMIDE COMPOUND
  申请人：Kimura Teiji

  公开号：US20090181945A1

  公开（公告）日：2009-07-16

  The present invention relates to a novel two cyclic cinnamide compound and a pharmaceutical agent comprising the compound as an active ingredient. The two cyclic cinnamide compound represented by the general formula (I): wherein represents a single bond or a double bond; Ar 1 represents a phenyl group or pyridinyl group that may be substituted with 1 to 3 substituents; R 1 and R 2 each represent a C1-6 alkyl group, a hydroxyl group, or the like; Z 1 represents a methylene group or vinylene group, which may be substituted with 1 or 2 substituents selected from Substituent Group A1, an oxygen atom, or an imino group that may be substituted with a substituent selected from Substituent Group A1; and p, q, and r each represent an integer of 0 to 2, which has an effect of reducing Aβ40 and Aβ42 production, and thus is particularly useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ such as Alzheimer's disease or Down's syndrome.

  本发明涉及一种新型的双环肉桂酰胺化合物和一种以该化合物为活性成分的药物制剂。该双环肉桂酰胺化合物由通式（I）表示：其中，表示单键或双键；Ar1表示苯基或吡啶基，可以用1至3个取代基取代；R1和R2各表示C1-6烷基、羟基或类似物；Z1表示亚甲基或乙烯基，可以用来自取代基A1的1或2个取代基、氧原子或可用取代基A1取代的亚胺基取代；p、q和r各表示0至2的整数，具有减少Aβ40和Aβ42产生的作用，因此特别适用于作为预防或治疗Aβ引起的神经退行性疾病，如阿尔茨海默病或唐氏综合症的药物制剂。
• BENZAMIDE DERIVATIVE
  申请人：CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.

  公开号：EP3357916A1

  公开（公告）日：2018-08-08

  The present invention relates to a benzamide derivative of general formula I, a drug composition containing same and a use thereof as a drug, wherein the definitions of R1, Z and Q are as described in the description.

  本发明涉及通式 I 的苯甲酰胺衍生物、含有该衍生物的药物组合物及其作为药物的用途，其中 R1、Z 和 Q 的定义如说明书所述。