间氯苯基哌嗪盐酸盐 | 185955-34-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 间氯苯基哌嗪盐酸盐
• 中文别名: 依立托仑；依立托伦；3-O-癸基-2-脱氧-6-O-[2-脱氧-3-O-[(3R)-3-甲氧基癸基]-6-O-甲基-2-[[(11Z)-1-氧代-11-十八烯基]氨基]-4-O-磷酰基-beta-D-吡喃葡萄糖基]-2-[(1,3-二氧代十四烷基)氨基]-alpha-D-吡喃葡萄糖1-(二氢磷酸)；3-O-癸基-2-脱氧-6-O-[2-脱氧-3-O-[(3R)-3-甲氧基癸基]-6-O-甲基-2-[[(11Z)-1-氧代-11-十八烯基]氨基]-4-O-磷酰基-beta-D-吡喃葡萄糖基]-2-[(1,3-二氧代十四烷基)氨基]-alpha-D-吡喃葡萄糖 1-(二氢磷酸)
• 英文名称: eritoran
• 英文别名: E 5564；[(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] dihydrogen phosphate
• CAS: 185955-34-4
• 化学式: C₆₆H₁₂₆N₂O₁₉P₂
• 分子量: 1313.68
• InChiKey: BPSMYQFMCXXNPC-MFCPCZTFSA-N

物化性质

• 密度：
  1.14

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  89
• 可旋转键数：
  59
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  294
• 氢给体数：
  7
• 氢受体数：
  19

ADMET

毒理性

• 蛋白质结合

大约55%，主要是到高密度脂蛋白。

Approximately 55%, primarily to high-density lipoproteins.

来源:DrugBank

反应信息

• 作为反应物：
  描述：

  间氯苯基哌嗪盐酸盐 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 E5564
  参考文献：
  名称：

  EP1939209

  摘要：

  公开号：
• 作为产物：
  描述：

  6-O-[4-O-[bis(2-propenyloxy)phosphynyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[((11Z)-1-oxo-11-octadecenyl)amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-α-D-glucopyranose-1-(di-2-propenylphosphate) 4-(2-propenylcarbonate) 在 palladium diacetate 、 三苯基膦 丙二酸环(亚)异丙酯 、 甲醇 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 间氯苯基哌嗪盐酸盐
  参考文献：
  名称：

  Sodium salt of disaccharide compound, production method and use of same

  摘要：

  本发明涉及一种由平均式(I)表示的钠盐：（其中，m1、n1、m2和n2分别独立地表示00r2或更小的正数，前提是m1+n1=2，m2+n2=2，0

  公开号：

  US20080227991A1

文献信息

• Left-Side Glucose Lipid a Analogue
  申请人：Shiozaki Masao

  公开号：US20090062214A1

  公开（公告）日：2009-03-05

  A compound having excellent macrophage activity inhibitory action, which is represented by the general following formula: wherein Q represents an oxygen atom, a C 1 -C 3 alkylene group, a —O-Alk- group or a —O-Alk-O— group (in which Alk is a C 1 -C 3 alkylene group), R 1 represents a C 1 -C 20 alkanoyl group which may be substituted, a C 3 -C 20 alkenoyl group which may be substituted or a C 3 -C 20 alkynoyl group which may be substituted, R 2 , R 3 and R 4 , which may be the same or different, represent a hydrogen atom, a C 1 -C 20 alkyl group which may be substituted, a C 2 -C 20 alkenyl group which may be substituted, a C 2 -C 20 alkynyl group which may be substituted, a C 1 -C 20 alkanoyl group which may be substituted, a C 3 -C 20 alkenoyl group which may be substituted or a C 3 -C 20 alkynoyl group which may be substituted, R 5 represents a hydrogen atom, a halogen atom, a hydroxyl group, a C 1 -C 6 alkoxy group which may be substituted, a C 2 -C 6 alkenyloxy group which may be substituted or a C 2 -C 6 alkynyloxy group which may be substituted, and W represents an oxygen atom or a —NH— group, or a pharmacologically acceptable salt thereof.

  一种具有出色的巨噬细胞活性抑制作用的化合物，其通式如下：其中，Q代表氧原子、C1-C3烷基、—O-Alk-基团或—O-Alk-O—基团（其中，Alk代表C1-C3烷基），R1代表C1-C20烷酰基，可以被取代的C3-C20烯酰基或可以被取代的C3-C20炔酰基，R2、R3和R4，可以相同也可以不同，代表氢原子、可以被取代的C1-C20烷基、可以被取代的C2-C20烯基、可以被取代的C2-C20炔基、可以被取代的C1-C20烷酰基、可以被取代的C3-C20烯酰基或可以被取代的C3-C20炔酰基，R5代表氢原子、卤原子、羟基、可以被取代的C1-C6烷氧基、可以被取代的C2-C6烯氧基或可以被取代的C2-C6炔氧基，W代表氧原子或—NH—基团，或其药学上可接受的盐。
• [EN] REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF<br/>[FR] REACTIFS ET PROCEDES DE PREPARATION D'UN ANTAGONISTE LPS B1287 ET DE STEREOISOMERES DE CELUI-CI
  申请人：EISAI CO LTD

  公开号：WO2004074303A3

  公开（公告）日：2004-12-29
• Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia
  申请人：Christ William J.

  公开号：US20080214802A1

  公开（公告）日：2008-09-04

  Novel substituted liposaccharides useful as in the prophylactic and affirmative treatment of endotoxemia including sepsis, septicemia and various forms of septic shock and methods of using these agents are provided. Also provided are methods of preparing these agents and intermediates useful therein.
• PROCESS FOR PRODUCTION OF LIPID A ANALOGUE
  申请人：Tagami Katsuya

  公开号：US20090149647A1

  公开（公告）日：2009-06-11

  Discloses is a process for producing α-D-glucopyranose, 3-O-decyl-2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-1-oxo-11-octadecenyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[(1,3-dioxotetradecyl)amino]- or 1-(dihydrogen phosphate) tetrasodium salt which is useful as an active ingredient of a pharmaceutical or an intermediate for the synthesis thereof, which is environment-friendly and excellent in safety, operationality and reproducibility. A process for producing a compound represented by the formula (I) comprising the steps of reacting a compound represented by the formula (VIII) with a palladium catalyst in the presence of a nucleopholic agent and treating the product with a sodium source.
• SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME
  申请人：Sakurai Shin

  公开号：US20100152429A1

  公开（公告）日：2010-06-17

  Disclosed are a sodium salt represented by the average formula (I) below, and a method for producing such a sodium salt. (In the formula, m 1 , n 1 , m 2 and n 2 independently represent 0 or a positive number not greater than 2, while satisfying m 1 +n 1 =2, m 2 +n 2 =2, 0