计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
有货
为什么选择此级别
分析标准品 级 ，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
2-8°C储存。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 1 篇同行评审文献引用。
概述
Withaferin A, a steroidal lactone originally purified from Withania somnifera, has been shown to have potent antiangiogenesis activity in vivo as well as potent growth inhibitory activities. This compound binds to Vimentin, the intermediate filament (IF) protein, and causes Vimentin filaments to aggregate in vitro. Furthermore, experiments have demonstrated that Withaferin-induced inhibition of capillary growth in a mouse model of corneal neovascularization was compromised in Vimentin-deficient mice. Additional experiments have reported Withaferin A to be a proteasome inhibitor, with a specific primary target for 20S proteasome β5 subunit. Withaferin A demonstrates the potential to inhibit NFκB activation by prevention of tumor necrosis factor-activated IκB kinase β via a thioalkylation-sensitive redox mechanism. In other studies, Withaferin A was also observed to alter cytoskeletal architecture by covalently binding Annexin II and stimulating its basal F-actin cross-linking activity. Another characteristic of Withaferin A that has been noted is it's ability to induce regeneration of axons and dendrites and also reconstruct pre and postsynapses in neurons of mice.An antiangiogenesis compound and poteasome inhibitor.
Withaferin A, a steroidal lactone originally purified from Withania somnifera, has been shown to have potent antiangiogenesis activity in vivo as well as potent growth inhibitory activities. This compound binds to Vimentin, the intermediate filament (IF) protein, and causes Vimentin filaments to aggregate in vitro. Furthermore, experiments have demonstrated that Withaferin-induced inhibition of capillary growth in a mouse model of corneal neovascularization was compromised in Vimentin-deficient mice. Additional experiments have reported Withaferin A to be a proteasome inhibitor, with a specific primary target for 20S proteasome β5 subunit. Withaferin A demonstrates the potential to inhibit NFκB activation by prevention of tumor necrosis factor-activated IκB kinase β via a thioalkylation-sensitive redox mechanism. In other studies, Withaferin A was also observed to alter cytoskeletal architecture by covalently binding Annexin II and stimulating its basal F-actin cross-linking activity. Another characteristic of Withaferin A that has been noted is it's ability to induce regeneration of axons and dendrites and also reconstruct pre and postsynapses in neurons of mice.
An antiangiogenesis compound and poteasome inhibitor.
规格
英文别名
NSC273757 | NSC-273757 | WITHAFERIN A [MI] | NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione | A1-06845 | C08841 | DS-13282 | SMR004701668 | Ashwagandha | NSC-101088 | Withaferine A | 5.beta.-
规格或纯度
分析标准品
英文名称
Withaferin A
生化机理
类固醇内酯，对肿瘤细胞具有细胞毒性。其保护作用归因于抗脂质过氧化、抗氧化和解毒功能。
应用
An antiangiogenesis compound and poteasome inhibitor.
储存条件
2-8°C储存
运输条件
低温运输
名称和识别符
PubChem SID
EC号
682-797-0
分子类型
小分子
IUPAC Name
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
INCHI
1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
InChi Key
DBRXOUCRJQVYJQ-CKNDUULBSA-N
Smiles
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO
Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO
PubChem CID
分子量
470.6
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)
脂质和脂质样分子
-
类（Class)
类固醇和类固醇衍生物
- 亚类（Subclass） 类固醇内酯
-
类（Class)
类固醇和类固醇衍生物
-
超类（Superclass)
脂质和脂质样分子
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 脂质和脂质样分子 |
| 类（Class) | 类固醇和类固醇衍生物 |
| 亚类（Subclass） | 类固醇内酯 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 醉茄内酯及其衍生物 |
| 其他上位类（Alternative Parents） | 5,6-环氧类固醇 氧杂环己烷 二氢吡喃酮 环己酮 烯酸酯类 仲醇 内酯 氧环化合物 一元羧酸及其衍生物 环氧物 二烷基醚 伯醇 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族杂多环化合物 |
| 取代基（Substituents） | 5,6-环氧类固醇 - 羟基苯甲酸酯 - 脂肪族杂多环化合物 - α,β-不饱和羧酸酯 - 羰基 - 羧酸衍生物 - 羧酸酰胺 - 环己烯酮 - 二烷基醚 - 二氢吡喃酮 - 乙酰基 - 乙醚 - 烃衍生物 - 酮 - L-α-氨基酸 - 单羧酸或其衍生物 - 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 - 氧杂环戊烷 - 氧杂环丁烷 - 初级醇 - 吡喃 - 醛基 - 维他诺萜骨架 |
| 描述（Description） | 该化合物属于维他醇类及其衍生物有机化合物。这类C28类固醇以麦角甾烷骨架为结构特征，通常在1、22和26位碳原子上进行官能团修饰形成内酯环。 |
| 外部描述符（External Descriptors） | Steroids |
三维结构
交互式化学结构模型
关联靶点（人）
PTPN2
Tchem
T-cell protein-tyrosine phosphatase
(1317 活性数据)
CYP1A1
Tchem
Cytochrome P450 1A1
(1169 活性数据)
MAPK3
Tchem
MAP kinase ERK1
(4725 活性数据)
AKT1
Tchem
Serine/threonine-protein kinase AKT
(9192 活性数据)
ACHN
(49357 活性数据)
BXPC-3
(2997 活性数据)
CAKI-1
(44928 活性数据)
CCRF-CEM
(65223 活性数据)
COLO 205
(50209 活性数据)
DLD-1
(17511 活性数据)
DMS-273
(14108 活性数据)
HL-60
(67320 活性数据)
HT-29
(80576 活性数据)
K562
(73714 活性数据)
KM12
(47707 活性数据)
M14
(47487 活性数据)
MCF7
(126967 活性数据)
MOLT-4
(49676 活性数据)
OVCAR-3
(48710 活性数据)
OVCAR-4
(44535 活性数据)
OVCAR-5
(45555 活性数据)
OVCAR-8
(47708 活性数据)
PANC-1
(6144 活性数据)
RPMI-8226
(44974 活性数据)
SF-295
(48000 活性数据)
SK-MEL-2
(46422 活性数据)
SK-MEL-28
(48833 活性数据)
SK-MEL-5
(47095 活性数据)
SN12C
(47755 活性数据)
SNB-19
(46794 活性数据)
SW480
(6023 活性数据)
TK-10
(45540 活性数据)
U-251
(51189 活性数据)
UACC-257
(46019 活性数据)
UACC-62
(47335 活性数据)
UO-31
(46270 活性数据)
WI-38
(2654 活性数据)
XF498
(12972 活性数据)
786-0
(47912 活性数据)
A549
(127892 活性数据)
MIA PaCa-2
(5949 活性数据)
NCI-H322M
(45589 活性数据)
HCC 2998
(41480 活性数据)
HCT-116
(91556 活性数据)
HFF
(3142 活性数据)
HOP-92
(41141 活性数据)
NCI-H460
(60772 活性数据)
A2780
(11979 活性数据)
SF-268
(49410 活性数据)
IGROV-1
(47897 活性数据)
关联靶点（其它种属）
Mapk1
MAP kinase ERK2 (650 活性数据)
Ptpn1
Protein-tyrosine phosphatase 1B (270 活性数据)
Mus musculus (284745 活性数据)
Sarcoma-180 (387 活性数据)
Vero (26788 活性数据)
rep
Replicase polyprotein 1ab (378 活性数据)
Gabrp
GABA-A receptor; anion channel (5731 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
溶解性
Soluble in ethanol, and DMSO
分子量
470.600 g/mol
XLogP3
3.800
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
6
可旋转键计数Rotatable Bond Count
3
精确质量Exact Mass
470.267 Da
单同位素质量Monoisotopic Mass
470.267 Da
拓扑极表面积Topological Polar Surface Area
96.400 Ų
重原子数Heavy Atom Count
34
形式电荷Formal Charge
0
复杂度Complexity
999.000
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
11
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)
C of A & Other Certificates(BSE/TSE, COO):
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| 批号(Lot Number) | 证书类型 | 货号 |
|---|---|---|
 A1818048 |
分析证书 | W134988 |
技术文档和文章
此产品的引用文献
溶液计算器
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