(1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-[(3R)-pyrrolidin-3-yl-(R)-hydroxymethyl]pyrrolidin-4-ylthio}-1-carbapen-2-em-3-carboxylic acid hydrochloride | 186319-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-[(3R)-pyrrolidin-3-yl-(R)-hydroxymethyl]pyrrolidin-4-ylthio}-1-carbapen-2-em-3-carboxylic acid hydrochloride
• 英文别名: (1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-2-[(3R)-pyrrolidin-3-yl-(R)-hydroxy]methyl}pyrrolidine-4-ylthio-1-carbapen-2-em-3-carboxylic acid monohydrochloride；(1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-2-[(3R)-pyrrolidine-3-yl-(R)-hydroxy]methylpyrrolidine-4-yl}thio-1-carbapen-2-em-3-carboxylic acid.hydrochloride；(+)-(1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-[(2S,4S)-2-[(3R)-pyrrolidine-3-yl-(R)-hydroxymethyl]pyrrolidine-4-yl]thio-1-carbapen-2-em-3-carboxylic acid monohydrochloride；1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-；(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride
• CAS: 186319-97-1
• 化学式: C₁₉H₂₉N₃O₅S*ClH
• 分子量: 447.983
• InChiKey: WRVJTXDJDKITNK-XNGFCKKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.0
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  147
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Acetylendiol 、 (1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-[(3R)-pyrrolidin-3-yl-(R)-hydroxymethyl]pyrrolidin-4-ylthio}-1-carbapen-2-em-3-carboxylic acid hydrochloride 在 3,5-二甲基-1-己炔-3-醇 作用下， 以” as well as “Surfynol (trade name) 440” and “Surfynol (trade name) 465” produced by Nissin Chemical Industry Co的产率得到3,5-二甲基-1-己炔-3-醇
  参考文献：
  名称：

  Dye ink for ink-jet recording, ink set including the same, ink-jet recording apparatus, and ink-jet recording method

  摘要：

  一种用于喷墨记录的墨水组包括一种含有水溶性染料和水的染料墨水和一种含有自分散颜料和水的颜料墨水；其中，染料墨水进一步含有具有内酰胺结构的聚合物；颜料墨水进一步含有具有表面活性能力的物质，表面活性能力物质的混合量被设置在一定比例内，以满足当颜料墨水一滴的量在22 pL到28 pL范围内时，打印在普通纸张上的一个点线的线宽不小于115微米的条件。

  公开号：

  US08889762B2
• 作为产物：
  描述：

  (1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-2-[(3R)-pyrrolidine-3-yl-(R)-hydroxy]methylpyrrolidine-4-yl}thio-1-carbapen-2-em-3-carboxylic acid.oxalate 在 calcium chloride 作用下， 以 水 为溶剂， 以85.5%的产率得到(1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-[(3R)-pyrrolidin-3-yl-(R)-hydroxymethyl]pyrrolidin-4-ylthio}-1-carbapen-2-em-3-carboxylic acid hydrochloride
  参考文献：
  名称：

  Process for the preparation of basic antibiotic-inorganic acid addition salts and intermediate oxalates

  摘要：

  一个生产过程，包括将一种基本的抗生素草酸盐(II)与一种无机酸的碱土金属盐(III)进行盐交换：其中环A代表基本抗生素；R10代表有机合成中使用的保护性功能基团；Ak-E代表碱土金属；B分别代表无机酸。

  公开号：

  US06642377B1

文献信息

• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：MetCalf, III Chester A.

  公开号：US20100184649A1

  公开（公告）日：2010-07-22

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及新型脂肽化合物，这些化合物的药物组合物以及使用这些化合物作为抗菌化合物的方法。本发明的化合物特别适用于对抗各种细菌，包括耐药菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• Carbapenem compound crystals and injection preparations
  申请人：Chiba Hiroyuki

  公开号：US20060040916A1

  公开（公告）日：2006-02-23

  The present invention provides carbapenem hydrochloride trihydrate crystals, which are chemically stable, easily purified and useful as antimicrobial agents, a process for producing them, and a powdery charged preparation for injection containing them. That is, it provides carbapenem hydrochloride trihydrate crystals having a powdery X-ray diffraction pattern containing lattice distances (d) of 9.0, 4.1 and 2.8 Å, a process for producing them, and a powdery charged preparation for injection containing them.

  本发明提供了羧甲苄青霉烷盐酸盐三水合物晶体，这些晶体化学稳定，易于纯化，并可用作抗微生物剂，提供了一种制备它们的方法以及含有它们的注射用粉末充电制剂。也就是说，本发明提供了具有粉末X射线衍射图案，包含晶格距离（d）为9.0、4.1和2.8Å的羧甲苄青霉烷盐酸盐三水合物晶体，一种制备它们的方法，以及含有它们的注射用粉末充电制剂。
• Novel Lipopeptides as Antibacterial Agents
  申请人：Hill Jason

  公开号：US20090011977A1

  公开（公告）日：2009-01-08

  The present invention relates to novel lipopeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel lipopeptide compounds and intermediates used in producing these compounds.

  本发明涉及新型脂肽化合物。本发明还涉及这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。本发明还涉及生产这些新型脂肽化合物的方法以及用于生产这些化合物的中间体。
• Dye Ink for Ink-Jet Recording, Ink Set Including the Same, Ink-Jet Recording Apparatus, and Ink-Jet Recording Method
  申请人：IWAMURA Yuko

  公开号：US20100056704A1

  公开（公告）日：2010-03-04

  An ink set for ink-jet recording includes a dye ink containing a water-soluble dye and water and a pigment ink containing a self-dispersible pigment and water; wherein the dye ink further contains a polymer having a lactam structure; and the pigment ink further contains a substance having a surface active ability, a blending amount of the substance having the surface active ability being set in a ratio to fulfill a condition that a line width of a one-dot line is not less than 115 μm when an amount of one liquid droplet of the pigment ink to be discharged is set to be within a range of 22 pL to 28 pL and the one-dot line is printed on a regular paper sheet.

  一种墨水喷墨记录的墨水组合包括一种含有水溶性染料和水的染料墨水和一种含有自分散颜料和水的颜料墨水;其中，染料墨水还包含具有内酰胺结构的聚合物;颜料墨水还包含具有表面活性能力的物质，表面活性能力物质的混合量与一点线的线宽不小于115μm的条件相对应，当颜料墨水的一滴液滴的数量设置在22 pL至28 pL的范围内，且这个一点线印在普通纸张上。
• INK FOR INK-JET RECORDING, INK-JET RECORDING METHOD, AND INK-JET RECORDING APPARATUS
  申请人：NAGANO Taro

  公开号：US20120268517A1

  公开（公告）日：2012-10-25

  There is provided an ink for ink-jet recording including: water; a water-soluble organic solvent; a water-soluble N-hydroxy cyclic imide compound; a self-dispersible pigment; and a surfactant of sulfuric acid ester salt type.

  提供了一种用于喷墨记录的墨水，包括：水；水溶性有机溶剂；水溶性N-羟基环酰亚胺化合物；自分散颜料；以及硫酸酯盐型表面活性剂。