methyl 2-methoxyacetimidate hydrochloride | 77998-69-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: methyl 2-methoxyacetimidate hydrochloride
• 英文别名: methyl 2-methoxyethanimidate;hydrochloride
• CAS: 77998-69-7
• 化学式: C₄H₉NO₂*ClH
• mdl: MFCD28099790
• 分子量: 139.582
• InChiKey: FCCPSFOUPVMHRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  42.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-methoxyacetimidate hydrochloride 、 tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 以71%的产率得到N2-(t-butoxycarbonyl)-N5-(1-imino-2-methoxyethyl)ornithine t-butyl ester hydrochloride
  参考文献：
  名称：

  Discovery of N-(4-Aminobutyl)-N′-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1)

  摘要：

  N-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine (8a) is a potent inhibitor targeting the hDDAH-1 active site (K-i = 18 mu M) and derived from a series of guanidine- and amidine-based inhibitors. Its nonamino acid nature leads to high selectivities toward other enzymes of the nitric oxide-modulating system. Crystallographic data of 8a-bound hDDAH-1 illuminated a unique binding mode. Together with its developed N-hydroxyguanidine prodrug 11, 8a will serve as a most widely applicable, pharmacological tool to target DDAH-1-associated diseases.

  DOI：

  10.1021/acs.jmedchem.9b01230
• 作为产物：
  描述：

  甲氧基乙腈 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 methyl 2-methoxyacetimidate hydrochloride
  参考文献：
  名称：

  Discovery of N-(4-Aminobutyl)-N′-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1)

  摘要：

  N-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine (8a) is a potent inhibitor targeting the hDDAH-1 active site (K-i = 18 mu M) and derived from a series of guanidine- and amidine-based inhibitors. Its nonamino acid nature leads to high selectivities toward other enzymes of the nitric oxide-modulating system. Crystallographic data of 8a-bound hDDAH-1 illuminated a unique binding mode. Together with its developed N-hydroxyguanidine prodrug 11, 8a will serve as a most widely applicable, pharmacological tool to target DDAH-1-associated diseases.

  DOI：

  10.1021/acs.jmedchem.9b01230

文献信息

• Heterocyclic compounds having antifungal activity
  申请人：Kawakami Katsuhiro

  公开号：US20070191395A1

  公开（公告）日：2007-08-16

  A compound which can specifically or selectively expresses an antifungal activity with a broad spectrum, based on the functional mechanism of 1,6-β-glucan synthesis inhibition, is provided, and an antifungal agent which comprises such a compound, a salt thereof or a solvate thereof is provided. A compound represented by the following formula (I), a salt thereof or a solvate thereof.

  提供一种化合物，基于 1,6-β-葡聚糖合成抑制的功能机制，可以特异性或选择性地表达广谱的抗真菌活性，并提供一种包含该化合物、其盐或溶剂化物的抗真菌剂。化合物的结构式如下（I），其盐或溶剂化物。
• EP1717238
  申请人：——

  公开号：——

  公开（公告）日：——