3-dimethylamino-propan-1-ol; sodium salt | 39115-80-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-dimethylamino-propan-1-ol; sodium salt
• 英文别名: Sodium;3-(dimethylamino)propan-1-olate
• CAS: 39115-80-5
• 化学式: C₅H₁₂NO*Na
• 分子量: 125.146
• InChiKey: IMGMDHVGFNETID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-dimethylamino-propan-1-ol; sodium salt 在 10% palladium on activated charcoal 、 camphor-10-sulfonic acid 、 氢气 作用下， 以 N-甲基吡咯烷酮 、 仲丁醇 为溶剂， 生成 3-[5-chloro-4-(2-fluoro-6-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid 3-dimethylaminopropyl ester
  参考文献：
  名称：

  2,4-Diaminopyrimidine inhibitors of c-Met kinase bearing benzoxazepine anilines

  摘要：

  Elaboration of the SAR around a series of 2,4-diaminopyrimidines led to a number of c-Met inhibitors in which kinase selectivity was modulated by substituents appended on the C4-aminobenzamide ring and the nature of the C2-aminoaryl ring. Further lead optimization of the C2-aminoaryl group led to benzoxazepine analogs whose pharmaceutical properties were modulated by the nature of the substituent on the benzoxazepine nitrogen. Tumor stasis (with partial regressions) were observed when an orally bioavailable analog was evaluated in a GTL-16 tumor xenograft mouse model. Subsequent PK/PD studies suggested that a metabolite contributed to the overall in vivo response. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.013
• 作为产物：
  描述：

  3-二甲氨基-1-丙醇 、 氨基钠 生成 3-dimethylamino-propan-1-ol; sodium salt
  参考文献：
  名称：

  BYSTROVA L. P.; KUZNETSOV S. P.; CHIGAREVA S. M., ZH. ORGAN. XIMII, 1980, 16, HO 9, 1829-1833

  摘要：

  DOI：
• 作为试剂：
  描述：

  3-二甲氨基-1-丙醇 、 4-氨基-5-硝基呋咱 在 3-dimethylamino-propan-1-ol; sodium salt 作用下， 以62%的产率得到4-[3-(Dimethylamino)propoxy]-1,2,5-oxadiazol-3-amine
  参考文献：
  名称：

  Sheremetev; Kharitonova; Mantseva, Russian Journal of Organic Chemistry, 1999, vol. 35, # 10, p. 1525 - 1537

  摘要：

  DOI：

文献信息

• Serotonin Inhibitors. III.¹ Compounds Related to 2'-(3-Dimethylaminopropylthio)cinnamanilide^2,3
  作者：John Krapcho、Chester F. Turk

  DOI：10.1021/jm00324a003

  日期：1966.11
• Cis-trans isomerism of thionocarbamate esters
  作者：Robert A. Bauman

  DOI：10.1021/jo01287a114

  日期：1967.12
• Eloy,F.; Van Overstraeten,A., Chimica Therapeutica, 1969, vol. 4, p. 9 - 13
  作者：Eloy,F.、Van Overstraeten,A.

  DOI：——

  日期：——
• 2,4-Diaminopyrimidine inhibitors of c-Met kinase bearing benzoxazepine anilines
  作者：Craig A. Zificsak、Jay P. Theroff、Lisa D. Aimone、Mark S. Albom、Thelma S. Angeles、Rebecca A. Brown、Deborah Galinis、Jennifer V. Grobelny、Torsten Herbertz、Jean Husten、Laura S. Kocsis、Christine LoSardo、Sheila J. Miknyoczki、Seetha Murthy、Damaris Rolon-Steele、Ted L. Underiner、Kevin J. Wells-Knecht、Candace S. Worrell、Kelli S. Zeigler、Bruce D. Dorsey

  DOI：10.1016/j.bmcl.2010.12.013

  日期：2011.1

  Elaboration of the SAR around a series of 2,4-diaminopyrimidines led to a number of c-Met inhibitors in which kinase selectivity was modulated by substituents appended on the C4-aminobenzamide ring and the nature of the C2-aminoaryl ring. Further lead optimization of the C2-aminoaryl group led to benzoxazepine analogs whose pharmaceutical properties were modulated by the nature of the substituent on the benzoxazepine nitrogen. Tumor stasis (with partial regressions) were observed when an orally bioavailable analog was evaluated in a GTL-16 tumor xenograft mouse model. Subsequent PK/PD studies suggested that a metabolite contributed to the overall in vivo response. (C) 2010 Elsevier Ltd. All rights reserved.
• BYSTROVA L. P.; KUZNETSOV S. P.; CHIGAREVA S. M., ZH. ORGAN. XIMII, 1980, 16, HO 9, 1829-1833
  作者：BYSTROVA L. P.、 KUZNETSOV S. P.、 CHIGAREVA S. M.

  DOI：——

  日期：——