I2526359计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
为什么选择此级别
提供 ≥98% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-20°C储存,充氩。超低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
Gossypetin is a hexahydroxylated flavonoid and is a potent mitogen-activated protein kinase kinase (MKK)3 and MKK6 inhibitor with strongly attenuates the MKK3/6-p38 signaling pathway, has various pharmacological activities, including antioxidant, antibacterial and anticancer activities
In Vitro
Gossypetin (20-60 μM; 48 hours; KYSE30, KYSE450 and KYSE510 cells) treatment significantly inhibits anchorage-dependent esophageal cancer cell growth in dose dependent manner. Gossypetin strongly suppresses anchorage-independent cell growth in esophageal cancer cells. Gossypetin (60 μM; 3 hours; KYSE30 and KYSE410 cells) treatment strongly inhibits p38 activity in a dose-dependent manner and confirms that Gossypetin directly suppresses MKK3 or MKK6 activity. Gossypetin (20-40 μM; 48 hours; KYSE450 and KYSE510 cells) treatment reduces S phase and induces G2 phase cell cycle arrest in a dose-dependent manner. Gossypetin (20-40 μM; 72 hours; esophageal cancer cells) treatment induces intrinsic apoptosis of esophageal cancer cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: KYSE30, KYSE450 and KYSE510 cells Concentration: 20 μM, 40 μM, 60 μM Incubation Time: 48 hours Result: Anchorage-dependent esophageal cancer cell growth was significantly inhibited. Western Blot AnalysisCell Line: KYSE30 and KYSE410 ccells Concentration: 60 μM Incubation Time: 3 hours Result: p38 activity was strongly inhibited in a dose-dependent manner. Cell Cycle AnalysisCell Line: KYSE450 and KYSE510 cells Concentration: 20 μM, 40 μM Incubation Time: 48 hours Result: Reduced S phase and induces G2 phase cell cycle arrest in a dose-dependent manner. Apoptosis AnalysisCell Line: Esophageal cancer cells Concentration: 20 μM, 40 μM Incubation Time: 72 hours Result: Induced apoptosis of esophageal cancer cells.
In Vivo
Gossypetin (100 mg/kg; oral administration; 5 times per week; for 21 days; severe combined immunodeficiency (SCID) female mice) treatment significantly decreases the volume of esophageal tumor growth and without significant loss of body weight. The expression of Ki67 is significantly decreased by Gossypetin. There are no obvious morphological differences between tissues from treated or untreated mic. The phosphorylation of p38, the direct downstream protein of MKK3/6 strongly inhibited in the Gossypetin-treated group . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Severe combined immunodeficiency (SCID) female mice (6-9 weeks old) injection with esophageal cancer tissue Dosage: 100 mg/kg Administration: Oral administration; 5 times per week; for 21 days Result: Suppressed patient-derived esophageal xenograft tumor growth in an in vivo mouse model.
Form:Solid
IC50& Target:p38 MAP kinase
规格
别名
棉铃虫素
英文别名
3,5,7,8,3',4'-Hexahydroxyflavone | NCGC00096031-01 | LMPK12113231 | 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one # | BP-10444 | CHEBI:16400 | Equisporol | 8-hydroxyquercetin | 8-hydroxy-quercetin | BRD-K06692906-001-01-6 | Gossypetin | YR
规格或纯度
≥98%
英文名称
Gossypetin
生化机理
格桑吡啶是一种六羟基黄酮类化合物，是一种强效的丝裂原活化蛋白激酶激酶（MKK）3 和 MKK6 抑制剂，能强烈抑制 MKK3/6-p38 信号通路，具有多种药理活性，包括抗氧化、抗菌、抗病毒、抗衰老和抗衰老。
储存条件
-20°C储存,充氩
运输条件
超低温运输
作用类型
抑制剂
纯度
≥98%
名称和识别符
PubChem SID
分子类型
小分子
IUPAC Name
2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
INCHI
1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
InChi Key
YRRAGUMVDQQZIY-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O
Isomeric SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O
PubChem CID
分子量
318.24
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯丙素类和聚酮类 |
| 类（Class) | 黄酮类化合物 |
| 亚类（Subclass） | 黄酮类 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 黄酮醇 |
| 其他上位类（Alternative Parents） | 3'-羟基黄酮类化合物 3-羟基黄酮类化合物 4'-羟基黄酮类化合物 5-羟基黄酮类化合物 7-羟基黄酮类化合物 8-羟基黄酮类化合物 色酮 儿茶酚 1-羟基-2-未取代苯类化合物 吡喃酮及其衍生物 1-羟基-4-未取代苯类化合物 苯及其取代衍生物 乙烯基酸 杂芳族化合物 氧环化合物 多元醇 碳氢化合物衍生物 有机氧化物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 1-苯并吡喃 - 1-羟基-2-未取代苯环化合物 - 1-羟基-4-未取代苯环化合物 - 3-羟基黄酮 - 3-羟基黄酮 - 3'-羟基黄酮 - 4'-羟基黄酮 - 5-羟基黄酮 - 7-羟基黄酮 - 8-羟基黄酮 - 芳香族杂多环化合物 - 苯基化合物 - 苯并吡喃 - 儿茶酚 - 苯并吡喃 - 杂芳香族化合物 - 烃衍生物 - 羟基黄酮 - 单环苯基基团 - 有机氧化物 - 有机氧化合物 - 有机杂环化合物 - 有机氧化合物 - 氧杂环 - 苯酚 - 多醇 - 吡喃 - 吡喃酮 - 乙烯基羧酸 |
| 描述（Description） | 该化合物属于黄酮醇类有机化合物。这类化合物以黄酮（2-苯基-1-苯并吡喃-4-酮）为骨架，其3位带有羟基。 |
| 外部描述符（External Descriptors） | Flavones and Flavonols |
三维结构
交互式化学结构模型
关联靶点（人）
RAD52
Tchem
DNA修复蛋白RAD52同源物(DNA repair protein RAD52 homolog)
(2 活性数据)
TST
Tchem
硫代硫酸盐硫转移酶(Thiosulfate sulfurtransferase)
(1 活性数据)
VDR
Tclin
Vitamin D receptor
(26531 活性数据)
CYP19A1
Tclin
Cytochrome P450 19A1
(6099 活性数据)
APP
Tclin
Amyloid-beta A4 protein
(8510 活性数据)
GLA
Tclin
Alpha-galactosidase A
(5444 活性数据)
PIM1
Tchem
Serine/threonine-protein kinase PIM1
(9629 活性数据)
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1
(77053 活性数据)
DAPK1
Tchem
Death-associated protein kinase 1
(1664 活性数据)
FBP1
Tchem
Fructose-1,6-bisphosphatase
(1199 活性数据)
ALOX15
Tchem
Arachidonate 15-lipoxygenase
(7108 活性数据)
PDK1
Tchem
Pyruvate dehydrogenase kinase isoform 1
(2021 活性数据)
Monocyte
(474 活性数据)
POLK
Tbio
DNA polymerase kappa
(8653 活性数据)
APEX1
Tchem
DNA-(apurinic or apyrimidinic site) lyase
(38016 活性数据)
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1
(345557 活性数据)
KDM4E
Tchem
Lysine-specific demethylase 4D-like
(40243 活性数据)
HPGD
Tchem
15-hydroxyprostaglandin dehydrogenase [NAD+]
(24926 活性数据)
SLCO2B1
Tchem
Solute carrier organic anion transporter family member 2B1
(580 活性数据)
USP1
Tchem
Ubiquitin carboxyl-terminal hydrolase 1
(22556 活性数据)
MEN1
Tchem
Menin/Histone-lysine N-methyltransferase MLL
(48157 活性数据)
NFKB2
Tchem
Nuclear factor NF-kappa-B complex
(2307 活性数据)
RAD52
Tchem
DNA repair protein RAD52 homolog
(856 活性数据)
HSPD1
Tbio
HSP60/HSP10
(366 活性数据)
TST
Tchem
Thiosulfate sulfurtransferase
(144 活性数据)
关联靶点（其它种属）
NA
Neuraminidase (1107 活性数据)
Hepatitis C virus (23859 活性数据)
Influenza A virus (11224 活性数据)
3T3-L1 (3664 活性数据)
MDCK (10148 活性数据)
Avian myoblastosis virus polyprotein II (68 活性数据)
nanH
Sialidase (337 活性数据)
Mapt
Microtubule-associated protein tau (6 活性数据)
fba
Putative fructose-1,6-bisphosphate aldolase (15559 活性数据)
Impa1
Inositol monophosphatase 1 (16203 活性数据)
Ntrk2
BDNF/NT-3 growth factors receptor (124 活性数据)
groL
GroEL/GroES (1042 活性数据)
groEL
60 kDa chaperonin (64 活性数据)
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 |
|---|
化学和物理性质
密度
1.912 g/cm3
分子量
318.230 g/mol
XLogP3
1.800
氢键供体数Hydrogen Bond Donor Count
6
氢键受体数Hydrogen Bond Acceptor Count
8
可旋转键计数Rotatable Bond Count
1
精确质量Exact Mass
318.038 Da
单同位素质量Monoisotopic Mass
318.038 Da
拓扑极表面积Topological Polar Surface Area
148.000 Ų
重原子数Heavy Atom Count
23
形式电荷Formal Charge
0
复杂度Complexity
518.000
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
0
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
质检证书（CoA,COO,BSE/TSE 和分析图谱)
溶液计算器
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