小檗碱盐酸盐 | 316-41-6

• 物质功能分类: 生物化工 - 天然产物
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 原小檗碱生物碱及其衍生物
• 中文名称: 小檗碱盐酸盐
• 中文别名: 硫酸小蘖碱
• 英文名称: Berberine sulphate
• 英文别名: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;sulfate
• CAS: 316-41-6；6190-33-6
• 化学式: C40H36N2O12S
• 分子量: 768.8
• InChiKey: OJVABJMSSDUECT-UHFFFAOYSA-L

物化性质

• 颜色/状态：
  YELLOW CRYSTALS
• 分解：
  DISASTER HAZARD: DANGEROUS; WHEN HEATED TO DECOMPOSITION, EMITS HIGHLY TOXIC FUMES. /BERBERINE/

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  55
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  170
• 氢给体数：
  0
• 氢受体数：
  12

ADMET

毒理性

• 人类毒性摘录

有害剂量会抑制心脏（直接通过迷走神经反射），放松血管，抑制呼吸，并刺激肠道、支气管和可能的子宫的平滑肌。/黄连素/

TOXIC DOSES DEPRESS HEART (DIRECTLY & REFLEXLY THROUGH THE VAGUS), RELAX BLOOD VESSELS, DEPRESS RESPIRATIONS, & STIMULATE SMOOTH MUSCLE IN INTESTINES, BRONCHI, & POSSIBLY UTERUS. /BERBERINE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

一种生物碱毒素。在有毒剂量下，它降低体温，增加肠蠕动，并通过中枢麻痹导致死亡。/黄连素/

AN ALKALOID POISON. IN TOXIC DOSES IT LOWERS TEMPERATURE, INCREASES PERISTALSIS, AND CAUSES DEATH BY CENTRAL PARALYSIS. /BERBERINE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

经口、经呼吸道吸入和经皮肤吸收均有毒。/小檗碱/

TOXIC BY INGESTION, INHALATION, AND SKIN ABSORPTION. /BERBERINE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

组织病理学检查显示，即使在以0.5克/千克每日口服剂量给予硫酸小檗碱6周的情况下，大鼠的组织和器官也没有发生变化。

HISTOPATHOLOGICAL EXAM REVEALED NO CHANGES IN TISSUES & ORGANS OF RATS EVEN IN CASES WHEN BERBERINE SULFATE WAS GIVEN FOR 6 WK IN 0.5 G/KG DAILY ORAL DOSES.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

硫酸小檗碱（10-15毫克/千克，腹腔注射）降低了小鼠的中枢神经系统活动，并引起了流泪、立毛肌收缩和眼睑下垂。它在小鼠中产生了显著的驯服效果，表现为身体抓握和头部轻敲测试。戊巴比妥睡眠时间显著增加。

BERBERINE SULFATE (10-15 MG/KG, IP) DEPRESSED CNS AND CAUSED LACRIMATION, PILOMOTOR ERECTION, & PTOSIS IN MICE. IT CAUSED A MARKED TAMING EFFECT AS EVIDENCED BY BODY GRASP & HEAD TAP TEST. PENTOBARBITONE SLEEPING TIME WAS MARKEDLY INCREASED.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

...可能通过皮肤吸收... /黄连素/

...MAY BE ABSORBED THROUGH THE SKIN... /BERBERINE/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  6.1(b)
• 海关编码：
  29399990
• 危险品运输编号：
  UN 1544
• RTECS号：
  DR9867300
• 包装等级：
  III
• 危险类别：
  6.1(b)

制备方法与用途

用途：

• 抗菌药，用于治疗由痢疾杆菌引起的肠道感染。

类别：有毒物品

毒性分级：高毒

急性毒性：

• 皮下 - 小鼠 LD50: 13.2 毫克/公斤；
• 腹腔 - 小鼠 LD50: 26.4 毫克/公斤

可燃性危险特性：

• 可燃；燃烧会产生有毒的氮氧化物和硫氧化物烟雾

储运特性：

• 低温通风干燥，与库房食品原料分开存放

灭火剂：干粉、泡沫、沙土、二氧化碳、雾状水

文献信息

• SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY
  申请人：Northwestern University

  公开号：US20170001976A1

  公开（公告）日：2017-01-05

  Disclosed are new small molecules having a substituted quinazoline core structure and the uses thereof for modulating glucocerebrosidase activity. Also disclosed are pharmaceutical compositions comprising the small molecules or activated glucocerebrosidase conjugated to the small molecules, which compositions may be administered in methods of treating diseases or disorders associated with glucocerebrosidase activity, including neurological diseases and disorders such as Gaucher's disease and Parkinson's disease.

  公开了具有取代喹唑啉核心结构的新小分子，以及它们用于调节葡萄糖苷脂酶活性的用途。还公开了包含这些小分子或与小分子结合的激活葡萄糖苷脂酶的药物组合物，这些组合物可以用于治疗与葡萄糖苷脂酶活性相关的疾病或失调，包括神经系统疾病和失调，如戈谢病和帕金森病。
• FLUORESCENT ANTICANCER PLATINUM DRUGS
  申请人：INVICTUS ONCOLOGY PVT. LTD.

  公开号：US20180312534A1

  公开（公告）日：2018-11-01

  The present disclosure is in relation to the field of nanotechnology and cancer therapeutics. In particular, the present disclosure relates to fluorescent platinum based compounds. The disclosure further relates to synthesis of said fluorescent platinum based compounds, nanoparticles and compositions comprising said fluorescent platinum based compounds/nanoparticles. The disclosure also relates to methods of managing cancer by the fluorescence changes between aforesaid platinum based compounds and corresponding free ligands, nanoparticles and compositions.

  本公开涉及纳米技术和癌症治疗领域。具体而言，本公开涉及荧光铂基化合物。该公开进一步涉及合成所述荧光铂基化合物、纳米颗粒和包含所述荧光铂基化合物/纳米颗粒的组合物。该公开还涉及通过上述铂基化合物与相应的游离配体、纳米颗粒和组合物之间的荧光变化来管理癌症的方法。
• [EN] SUBSTITUTED 4-METHYL-PYRROLO[1.2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY<br/>[FR] COMPOSÉS DE 4-MÉTHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE SUBSTITUÉ ET LEURS UTILISATIONS POUR MODULER L'ACTIVITÉ DE LA GLUCOCÉRÉBROSIDASE
  申请人：UNIV NORTHWESTERN

  公开号：WO2017004408A1

  公开（公告）日：2017-01-05

  Disclosed are new small molecules having a 4-methylpyrrrolo[l,2-a]pyrimidine- 8-carboxamide core structure and the uses thereof for modulating glucocerebrosidase activity. Also disclosed are pharmaceutical compositions comprising the small molecules which may be administered in methods of treating diseases or disorders associated with glucocerebrosidase activity, including neurological diseases and disorders such as Gaucher's disease and Parkinson's disease. The small molecules may contain a fluorophore or may be conjugated to a fluorophore in order to prepare a fluorescent probe for use in high throughput screening methods to identify new modulators of glucocerebrosidase activity via fluorescence polarization.

  揭示了具有4-甲基吡咯并[1,2-a]嘧啶-8-羧酰胺核结构的新型小分子及其用途，用于调节葡萄糖乙酰硫脂酶活性。还揭示了包含这些小分子的药物组合物，可用于治疗与葡萄糖乙酰硫脂酶活性相关的疾病或疾病，包括神经系统疾病和障碍，如高雪氏病和帕金森病。这些小分子可能含有荧光团或与荧光团结合，以制备用于高通量筛选方法中的荧光探针，以通过荧光极化识别葡萄糖乙酰硫脂酶活性的新调节剂。
• COMPOUNDS HAVING PHOTOCHEMICALLY REMOVABLE PROTECTING GROUPS BASED ON AN ELECTROCYCLIC REACTION BETWEEN A CHROMOPHORE ATTACHED VIA AN ANILIDE GROUP TO A BENZOTHIOPHENE RING
  申请人：MARQUETTE UNIVERSITY

  公开号：US20130231484A1

  公开（公告）日：2013-09-05

  Disclosed herein are compounds having photoremovable protecting groups which are removed after the compounds absorbs light of a given wavelength and undergo an electrocyclic reaction between a chromophore in the compound attached via an anilide to a benzothiophene ring.

  本文披露了一种化合物，其具有光可去保护基团，该基团在化合物吸收特定波长的光并在连接到苯并噻吩环的苯胺上的染料团之间发生电环反应后被去除。
• [EN] ANTIBODY-POLYMER-DRUG CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-POLYMÈRE-MÉDICAMENT
  申请人：UNIV UTAH RES FOUND

  公开号：WO2018071767A1

  公开（公告）日：2018-04-19

  Disclosed herein, are antibody-polymer-drug conjugates. The conjugate comprises a targeting moiety, one or more polymers, and one or more therapeutic agents. Also described herein, are compositions comprising the conjugates, methods of their preparation, and methods of treating various disorders with the conjugates or their compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文披露了抗体-聚合物-药物共轭物。该共轭物包括一个靶向基团、一个或多个聚合物和一个或多个治疗剂。本文还描述了包含这些共轭物的组合物、它们的制备方法以及使用这些共轭物或其组合物治疗各种疾病的方法。本摘要旨在作为在特定领域搜索的扫描工具，并不打算限制本发明。

表征谱图