H2506333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) |
|---|
Ertiprotafib
有货
为什么选择此级别
Moligand™ 级 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
避光,-20°C储存,充氩,干燥。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
Ertiprotafib is an inhibitor of PTP1B, IkB kinase β (IKK-β) , and a dual PPARα and PPARβ agonist, with an IC 50 of 1.6 μM for PTP1B, 400 nM for IKK-β , an EC 50 of ~1 μM for PPARα/PPARβ.
In Vitro
Ertiprotafib is a potent inhibitor of IKK-β, with an IC 50 value of 400±40 nM, which is much lower than that required for the half-maximal inhibition of the p-nitrophenyl phosphatase activity of PTP1B. The reported IC 50 value of Ertiprotafib against PTP1B ranges from 1.6 to 29 μM depending on the assay conditions. Ertiprotafib is at least a dual PPARα and PPARβ agonist with EC 50 values for transactivation of 1 μM. Such activities readily explain the observations with suprapharmacologic doses of these. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
As seen with treatment of ob/ob mice, both Ertiprotafib and compound 3 seem to significantly improve glucose metabolism in rats. At 25 mg/kg/day, these compounds decrease both fasting blood glucose and insulin levels compared with vehicle treated rats. Furthermore, both Ertiprotafib and compound 3 increase glucose disposal after an oral challenge. It is noteworthy that lipid levels are also reduced in treated animals. Both triglyceride and free fatty acid levels are substantially reduced in rats treated with 25 mg/kg/day of either compound. To summarize, both Ertiprotafib and compound 3 seem to be robust agents in improving glucose utilization in fa/fa rats while also decreasing lipid levels in these animals. Decreased lipid levels may be unexpected for a pure PTP1b inhibitor. It is more telling, as mentioned above, that rats treated with suprapharmacologic doses of Ertiprotafib show signs of PPAR family activation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
Mice, Rats Male Ob/ob mice and Zucker fa/fa rats are used. They are kept on a 12-h/12-h light/dark cycle and fed Rodent Diet 5001 (for mice and rats) from Purina Mills. Compounds are dosed orally by gavage in an aqueous suspension of 2% Tween 80 and 0.5% methylcellulose. Whole blood (5 μL) is used for glucose readings via tail nick for measurement using the Ascensia Elite XL glucometer and glucose strips by preloading a strip into the meter and touching the end to a small drop of blood on each tail. Insulin levels are quantified by enzyme-linked immunosorbent assay . aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:PTP1B|1.6 μM (IC|50|)|IKK-β|400 nM (IC|50|)|PPARα|~1 μM (EC|50|)|PPARβ|~1 μM (EC|50|)
规格
别名
埃替普罗替尼
英文别名
Ertiprotafib [USAN:INN] | Ertiprotafib [USAN] | BENZENEPROPANOIC ACID, .ALPHA.-(4-(9-BROMO-2,3-DIMETHYLNAPHTHO(2,3-B)THIEN-4-YL)-2,6-DIMETHYLPHENOXY)-, (.ALPHA.R)- | FONCZICQWCUXEB-RUZDIDTESA-N | SCHEMBL6703442 | Ertiprotafib | DB06521 | BDBM50209683 | 2-
规格或纯度
Moligand™, ≥98%
英文名称
Ertiprotafib
生化机理
Ertiprotafib 是 PTP1B 和 IkB 激酶 β (IKK-β) 的抑制剂，也是 PPARα 和 PPARβ 的双重激动剂，对 PTP1B 的 IC 50 为 1.6 μM，对 IKK-β 的 IC 50 为 400 nM，对 PPARα/PPARβ 的 EC 50 为 1 μM。
储存条件
避光,-20°C储存,充氩,干燥
运输条件
超低温运输
作用类型
激动剂
纯度
≥98%
名称和识别符
PubChem SID
分子类型
小分子
IUPAC Name
(2R)-2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid
INCHI
1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1
InChi Key
FONCZICQWCUXEB-RUZDIDTESA-N
Smiles
CC1=CC(=CC(=C1OC(CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C
Isomeric SMILES
CC1=CC(=CC(=C1O[C@H](CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C
PubChem CID
分子量
559.51
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) | 苯类化合物 |
| 类（Class) | 萘 |
| 亚类（Subclass） | 萘并噻吩 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 萘并噻吩 |
| 其他上位类（Alternative Parents） | 苯丙酸 苯氧乙酸衍生物 1-苯并噻吩 间二甲苯 苯氧基化合物 酚醚 烷基芳基醚 芳基溴化物 噻吩类 杂芳族化合物 一元羧酸及其衍生物 羧酸 羰基化合物 有机溴化物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 1-苯并噻吩 - 3-苯基丙酸 - 芳基醚 - 芳香族杂多环化合物 - 芳基溴化物 - 芳基卤化物 - 苯并噻吩 - 羰基 - 羧酰胺基 - 羧酸衍生物 - 乙醚 - 杂芳香族化合物 - 烃衍生物 - 间甲酚甲烷 - 单羧酸或其衍生物 - 单环苯基基团 - 萘噻吩 - 有机氧化物 - 有机氧化合物 - 有机硒化合物 - 有机卤化物 - 有机杂环化合物 - 有机氧化合物 - 苯酚醚 - 苯氧基化合物 - 苯氧乙酸酯 - 噻吩 - 二甲苯 |
| 描述（Description） | 该化合物属于有机化合物中的萘噻吩类。这类化合物含有萘（或其衍生物）与噻吩共环结构。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
关联靶点（人）
PTPN1
Tchem
酪氨酸蛋白磷酸酶非受体 1 型(Tyrosine-protein phosphatase non-receptor type 1)
(3 活性数据)
PPARG
Tclin
Peroxisome proliferator-activated receptor gamma
(15191 活性数据)
PPARA
Tclin
Peroxisome proliferator-activated receptor alpha
(9197 活性数据)
IKBKB
Tchem
Inhibitor of nuclear factor kappa B kinase beta subunit
(5554 活性数据)
关联靶点（其它种属）
Ptpn1
Protein-tyrosine phosphatase 1B (270 活性数据)
Mus musculus (284745 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
DMSO : 100 mg/mL (178.73 mM; Need ultrasonic)
敏感性
对湿度敏感，对光线敏感
分子量
559.500 g/mol
XLogP3
9.200
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
4
可旋转键计数Rotatable Bond Count
6
精确质量Exact Mass
558.086 Da
单同位素质量Monoisotopic Mass
558.086 Da
拓扑极表面积Topological Polar Surface Area
74.800 Ų
重原子数Heavy Atom Count
36
形式电荷Formal Charge
0
复杂度Complexity
744.000
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
1
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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