白坚木辛碱 | 2122-36-3

• 物质功能分类: 天然产物 - 生物碱
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - Vallesaman生物碱
• 中文名称: 白坚木辛碱
• 英文名称: (-)-apparicine
• 英文别名: pericalline；Apparicine；(13S,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene
• CAS: 2122-36-3
• 化学式: C₁₈H₂₀N₂
• 分子量: 264.37
• InChiKey: LCVACABZTLIWCE-CRAFIKPXSA-N

物化性质

• 熔点：
  188-191℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  19
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  pericine N-oxide 在 三氟乙酸酐 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以26%的产率得到白坚木辛碱
  参考文献：
  名称：

  高蛋白的仿生氧化转化：:胺和缬草胺的部分合成，这是一种来自Kopsia的新的五环吲哚生物碱

  摘要：

  从马来亚科普萨（Malayan Kopsia）物种中获得了一种新的会阴型五环吲哚生物碱valparicine，代表该亚组的第一个成员，并通过光谱分析确定了结构。通过Potier–Polonovski反应，从小cine碱中部分合成了缬氨酸和鸟氨酸，并讨论了其生物遗传学意义。

  DOI：

  10.1016/j.tetlet.2006.05.095

文献信息

• IBOGAINE FORMULATIONS
  申请人：Caamtech, LLC

  公开号：EP3986415A1

  公开（公告）日：2022-04-27
• [EN] IBOGAINE FORMULATIONS<br/>[FR] FORMULATIONS D'IBOGAÏNE
  申请人：CAAMTECH LLC

  公开号：WO2020263941A1

  公开（公告）日：2020-12-30

  Disclosed herein are new compositions and methods comprising a combination of active ingredients that includes at least one ibogaine derivative. Several selected examples of non-naturally occurring ibogaine derivative formulations are also disclosed. The ibogaine derivatives are combined into formulations via human ingenuity to arrive at compositions and formulations that are not found in nature. These formulations have different physical properties from those found in nature and also provide different pharmacological properties. In many cases, the below disclosed combinations provide different clinical effects when administered to a subject. The disclosed compositions are useful in many contexts, including treating addictions, such as alcohol, nicotine, and opiate addictions.
• [EN] COMPOSITIONS AND METHODS FOR TREATING PSYCHIATRIC DISORDERS OR SYMPTOMS THEREOF<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR TRAITER DES TROUBLES PSYCHIATRIQUES OU DES SYMPTÔMES DE CEUX-CI
  申请人：PSYRX LTD

  公开号：WO2022003675A1

  公开（公告）日：2022-01-06

  The present invention provides pharmaceutical compositions and methods for treating psychiatric disorders, such as depression. The pharmaceutical compositions comprise a combination of ibogaine or derivative thereof and an antidepressant.
• Biomimetic oxidative transformations of pericine: partial synthesis of apparicine and valparicine, a new pentacyclic indole alkaloid from Kopsia
  作者：Kuan-Hon Lim、Yun-Yee Low、Toh-Seok Kam

  DOI：10.1016/j.tetlet.2006.05.095

  日期：2006.7

  A new pentacyclic indole alkaloid of the pericine-type, valparicine, representing the first member of this sub-group, was obtained from a Malayan Kopsia species and the structure was established by spectroscopic analysis. A partial synthesis of valparicine and apparicine from pericine was carried out via the Potier–Polonovski reaction and the biogenetic implications are discussed.

  从马来亚科普萨（Malayan Kopsia）物种中获得了一种新的会阴型五环吲哚生物碱valparicine，代表该亚组的第一个成员，并通过光谱分析确定了结构。通过Potier–Polonovski反应，从小cine碱中部分合成了缬氨酸和鸟氨酸，并讨论了其生物遗传学意义。