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 |
|---|
为什么选择此级别
提供 ≥97% 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
避光,-80℃储存。特低温运输 。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
Alphitolic acid (Aophitolic acid) is an anti-inflammatory triterpene could found in quercus aliena. Alphitolic acid blocks Akt–NF-κB signaling to induce apoptosis. Alphitolic acid induces autophagy. Alphitolic acid has anti-inflammatory activity and down-regulates the NO and TNF-α production. Alphitolic acid can be used for cancer and inflammation research .
In Vitro
Alphitolic acid (Aophitolic acid) (0-30 µM; 72 hours; HSC-3, SCC2095, and SCC4 cells) has anti-proliferative activity in oral cancer cells in a dose-dependent manner, induces apoptosis and blocks Akt–NF-κB signaling. Alphitolic acid (Aophitolic acid) (0-25 µM; 3-72 hours; SCC4 cells) induces autophagy with increases the expression of autophagosome marker LC3B-II and two autophagyregulatory proteins. Alphitolic acid (Aophitolic acid) (0-25 µM; 72 hours; SCC4 cells) increases p53 phosphorylation and expression, decreases in the expression of the oncogenic E3 ligase MDM2. Alphitolic acid (Aophitolic acid) (0-25 µM; 72 hours; RAW 264.7 macrophages) has anti-inflammatory activity and down-regulates the NO and TNF-α production with IC 50 values of 17.6 and 22.7 µM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: HSC-3, SCC2095 and SCC4 cells Concentration: 0, 10, 15, 20, 25 and 30 µM Incubation Time: 72 hours Result: Suppressed the proliferation of SCC4 and SCC2095 cells with IC 50 values of 12 and 15 µM, respectively. Apoptosis AnalysisCell Line: SCC4 cells Concentration: 0, 10, 20 and 30 µM Incubation Time: 72 hours Result: Increased the percentage of apoptotic cells from 11.8% to 25.1% in a dose-dependent manner. Western Blot AnalysisCell Line: SCC4 cells Concentration: 0, 10, 15 and 20 µM Incubation Time: 72 hours Result: Decreased the expression of phosphorylation of Akt and its downstream substrates, including p70S6K, S6, and IκBα. Down-regulated the expression of NF-κB and its downstream target gene product Bcl-2. Western Blot AnalysisCell Line: SCC4 cells Concentration: 0, 10, 15, 20 and 25 µM Incubation Time: 3, 6, 12, 24, 48 and 72 hours Result: Increased autophagosome marker LC3B-II in a dose- and time-dependent manner. Increased the expression of autophagy-related protein 7 (Atg7).
In Vivo
Alphitolic acid (Aophitolic acid) (47-756 µg/ear; i.h.; adult male CF-1 mice) has anti-inflammatory activity in vivo. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Adult male CF-1 miceDosage: 47, 94, 330, 378 and 756 µg/ear Administration: subcutaneous injection Result: Had anti-inflammatory activity with an ED 50 of 0.11 and 0.20 µM in a dose-dependent.
Form:Solid
规格
别名
脂肪酸
英文别名
2alpha-Hydroxybetulinic acid | Lup-20(29)-en-28-oic acid, 2,3-dihydroxy- (8CI); (2,3)-2,3-Dihydroxylup-20(29)-en-28-oic acid; 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.; 2-Hydroxybetulinic acid; Alphitolic acid | AKOS032948680 | CHEBI:676
规格或纯度
≥97%
英文名称
Alphitolic acid
生化机理
杏仁酸（Aophitolic acid）是一种抗炎三萜类化合物，可在柞树中发现。鹅掌楸醇酸可阻断 Akt-NF-κB 信号传导，诱导细胞凋亡。鹅掌楸醇酸可诱导自噬。鹅掌楸醇酸具有抗炎活性，并能降低细胞凋亡。
储存条件
避光,-80℃储存
运输条件
特低温运输
作用类型
抑制剂
纯度
≥97%
名称和识别符
分子类型
小分子
IUPAC Name
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
INCHI
1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
InChi Key
PFCVZKFJHRCLCC-PGOIBATFSA-N
Smiles
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O
Isomeric SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C(=O)O
关联CAS
PubChem CID
MeSH Entry Terms
alphitolic acid
分子量
472.70
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) | 异戊烯醇脂质 |
| 亚类（Subclass） | 三萜类化合物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 三萜类化合物 |
| 其他上位类（Alternative Parents） | 18-羟基类固醇 氧类固醇 仲醇 环状醇及其衍生物 1,2-二醇 一元羧酸及其衍生物 羧酸 有机氧化物 碳氢化合物衍生物 羰基化合物 |
| 分子骨架（Molecular Framework) | 脂肪族同多环化合物 |
| 取代基（Substituents） | 1,2-二醇 - 18-羟基类固醇 - 18-氧代甾体 - 羟基苯甲酸酯 - 脂肪族同多环化合物 - 羰基 - 羧酰胺基 - 羧酸衍生物 - 环醇 - 烃衍生物 - 羟基吡啶 - 单羧酸或其衍生物 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 - 氧甾类 - 醛基 - 甾体 - 三萜类化合物 |
| 描述（Description） | 该化合物属于三萜类有机化合物。这类化合物由六个异戊二烯单元构成的萜烯分子组成。 |
| 外部描述符（External Descriptors） | dihydroxy monocarboxylic acid - pentacyclic triterpenoid |
三维结构
交互式化学结构模型
关联靶点（人）
DU-145
(51482 活性数据)
HT-29
(80576 活性数据)
OVCAR-3
(48710 活性数据)
PANC-1
(6144 活性数据)
H9
(1832 活性数据)
MDA-MB-435
(38290 活性数据)
MDA-MB-231
(73002 活性数据)
RELA
Tchem
Nuclear factor NF-kappa-B p65 subunit
(627 活性数据)
GLI1
Tchem
Zinc finger protein GLI1
(201 活性数据)
关联靶点（其它种属）
Mycobacterium tuberculosis (203094 活性数据)
Plasmodium falciparum (966862 活性数据)
Mus musculus (284745 活性数据)
Human immunodeficiency virus 1 (70413 活性数据)
Influenza A virus (11224 活性数据)
LLC-PK1 (2135 活性数据)
MDCK (10148 活性数据)
BV-2 (3710 活性数据)
Influenza A virus H3N2 (588 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
分子量
472.700 g/mol
XLogP3
7.200
氢键供体数Hydrogen Bond Donor Count
3
氢键受体数Hydrogen Bond Acceptor Count
4
可旋转键计数Rotatable Bond Count
2
精确质量Exact Mass
472.355 Da
单同位素质量Monoisotopic Mass
472.355 Da
拓扑极表面积Topological Polar Surface Area
77.800 Ų
重原子数Heavy Atom Count
34
形式电荷Formal Charge
0
复杂度Complexity
894.000
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):
输入批号以搜索分析图谱:
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
Copyright © 2023至今 上海阿拉丁生化科技股份有限公司 保留所有权利。
危险品化学品经营许可证（带存储）