龙胆苦苷

抗惊厥药
  • 10mM in DMSO
  • CAS编号: 20831-76-9
  • 分子式: C16H20O9
  • 分子量: 356.33
  • PubChem编号: 88708
有货

库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
G422524-1ml
1ml 现货 Stock Image
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Compound libraries (12326)

基本描述

别名 龙胆苦甙
英文别名 (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one | Q27106718 | (5R,6S)-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-5,6-dihydropyrano[
规格或纯度 10mM in DMSO
英文名称 Gentiopicroside
生化机理 抗惊厥剂。下调NAc中含GluN2B的NMDA受体。在体内具有抗成瘾,抗惊厥和抗焦虑作用。口服具有活性
储存温度 -80℃储存
运输条件 超低温冰袋运输
产品介绍


Gentiopicroside (GPS) is a secoiridoid glycoside sourced from the dried roots of Gentiana rigescens.

Application:

Gentiopicroside has been used as a reference standard for the quantification of iridoid glycoside in six Caucasian Gentians herb samples using high-performance liquid chromatography with diode array detection (HPLC-DAD) technique.

关联靶点(人)

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hepatitis C virus (23859 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
3T3-L1 (3664 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHO (4503 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
INCHI InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
InChi Key DUAGQYUORDTXOR-GPQRQXLASA-N
Canonical SMILES C=C[C@H]1[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C3C(OCC=C31)=O
Isomeric SMILES C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
PubChem CID 88708
分子量 356.33

化学和物理性质

熔点 191°C
分子量 356.320 g/mol
XLogP3 -1.200
氢键供体数Hydrogen Bond Donor Count 4
氢键受体数Hydrogen Bond Acceptor Count 9
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 356.111 Da
单同位素质量Monoisotopic Mass 356.111 Da
拓扑极表面积Topological Polar Surface Area 135.000 Ų
重原子数Heavy Atom Count 25
形式电荷Formal Charge 0
复杂度Complexity 598.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 7
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

象形图 GHS07
信号词 Warning
危险声明

H302: 吞食有害

预防措施声明

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P270: 使用本产品时,请勿进食、饮水或吸烟。

P330: 漱口

P301+P317: 如果被吞咽:请寻求医疗帮助。

技术规格说明书

Concentration(Compounding value) 9.0-11.0(mmol/L)
Appearance(Light-yellow Liquid) Pass
Record the entire process by video Conform

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

此产品的引用文献

1. Bo Zou, Yue Fu, Chaofan Cao, Dianzhu Pan, Wei Wang, Lingfei Kong.  (2021)  Gentiopicroside ameliorates ovalbumin-induced airway inflammation in a mouse model of allergic asthma via regulating SIRT1/NF-κB signaling pathway.  PULMONARY PHARMACOLOGY & THERAPEUTICS,  68  (102034).  [PMID:33887491] [10.1016/j.pupt.2021.102034]

参考文献

1. Bo Zou, Yue Fu, Chaofan Cao, Dianzhu Pan, Wei Wang, Lingfei Kong.  (2021)  Gentiopicroside ameliorates ovalbumin-induced airway inflammation in a mouse model of allergic asthma via regulating SIRT1/NF-κB signaling pathway.  PULMONARY PHARMACOLOGY & THERAPEUTICS,  68  (102034).  [PMID:33887491] [10.1016/j.pupt.2021.102034]

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