(3-chlorophenyl)(pyridin-2-yl)methanamine | 39930-15-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-chlorophenyl)(pyridin-2-yl)methanamine
• 英文别名: (3-chlorophenyl)-pyridin-2-ylmethanamine
• CAS: 39930-15-9
• 化学式: C₁₂H₁₁ClN₂
• mdl: MFCD16111891
• 分子量: 218.686
• InChiKey: AHGHYTLHTMRGLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-chlorophenyl)(pyridin-2-yl)methanamine 以 乙醇 为溶剂， 生成 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-cyano-2-methylguanidine
  参考文献：
  名称：

  N-氰基-N'-（苯基-吡啶基甲基）胍衍生物的合成和胃抗分泌活性。

  摘要：

  N-烷基-N'-氰基-N"-(取代苯基吡啶甲基)胍衍生物被合成并测试了对大鼠胃分泌的抑制活性。合成的化合物中，有几个展现了对基础胃分泌的抑制活性，与西咪替丁相当，但在对抗组胺刺激的胃分泌方面，活性不如西咪替丁。还讨论了一些结构-活性关系。

  DOI：

  10.1248/cpb.32.4893

文献信息

• New Potent DOT1L Inhibitors for <i>in Vivo</i> Evaluation in Mouse
  作者：Frédéric Stauffer、Andreas Weiss、Clemens Scheufler、Henrik Möbitz、Christian Ragot、Kim S. Beyer、Keith Calkins、Daniel Guthy、Michael Kiffe、Bernard Van Eerdenbrugh、Ralph Tiedt、Christoph Gaul

  DOI：10.1021/acsmedchemlett.9b00452

  日期：2019.12.12

  In MLL-rearranged cancer cells, disruptor of telomeric silencing 1-like protein (DOT1L) is aberrantly recruited to ectopic loci leading to local hypermethylation of H3K79 and consequently misexpression of leukemogenic genes. A structure-guided optimization of a HTS hit led to the discovery of DOT1L inhibitors with subnanomolar potency, allowing testing of the therapeutic principle of DOT1L inhibition in a preclinical mouse tumor xenograft model. Compounds displaying good exposure in mouse and nanomolar inhibition of target gene expression in cells were obtained and tested in vivo.
• SHIMADA, KATSUTOSHI;FUJISAKI, HIDEAKI;OKETANI, KIYOSHI;MURAKAMI, MANABU;S+, CHEM. AND PHARM. BULL., 1984, 32, N 12, 4893-4906
  作者：SHIMADA, KATSUTOSHI、FUJISAKI, HIDEAKI、OKETANI, KIYOSHI、MURAKAMI, MANABU、S+

  DOI：——

  日期：——
• DOPAMINE D2 RECEPTOR LIGANDS
  申请人：The Broad Institute, Inc.

  公开号：EP3233799B1

  公开（公告）日：2021-05-19
• Synthesis and gastric antisecretory activity of N-cyano-N'-(phenyl-pyridinylmethyl)guanidine derivatives.
  作者：KATSUTOSHI SHIMADA、HIDEAKI FUJISAKI、KIYOSHI OKETANI、MANABU MURAKAMI、TADAO SHOJI、TSUNEO WAKABAYASHI、KOICHIRO UEDA、KIICHI EMA、KAZUNORI HASHIMOTO、SATORU TANAKA

  DOI：10.1248/cpb.32.4893

  日期：——

  N-Alkyl-N'-cyano-N"-(substituted phenyl-pyridinylmethyl) guanidine derivatives were synthesized and tested for inhibitory activity against gastric secretion in rats. Several of the compounds synthesized showed an inhibiting activity as potent as that of cimetidine against basal gastric secretion but showed less potent activity than cimetidine against histamine-stimulated gastric secretion. Some structure-activity relationships are discussed.

  N-烷基-N'-氰基-N"-(取代苯基吡啶甲基)胍衍生物被合成并测试了对大鼠胃分泌的抑制活性。合成的化合物中，有几个展现了对基础胃分泌的抑制活性，与西咪替丁相当，但在对抗组胺刺激的胃分泌方面，活性不如西咪替丁。还讨论了一些结构-活性关系。