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 ≥99% 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。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
E64FC26 is a potent pan-inhibitor of the protein disulfide isomerase (PDI) family, with IC 50 s of 1.9, 20.9, 25.9, 16.3, and 25.4 μM against PDIA1, PDIA3, PDIA4, TXNDC5, and PDIA6, respectively. E64FC26 shows anti-myeloma activity.
In Vitro
E64FC26 (0.01-100 μM; 24 hours) shows anti-MM activity , with an EC 50 of 0.59 μM.?\nE64FC26 is more cytotoxic against a genetically diverse panel of multiple myeloma (MM) cell lines (KMS11, OPM2, MM.1S BzR, MM.1S, SA-13, U266 BzR, ANBL6, KMS12PE, U266, 8226 DxR, 8226 BzR, KMS12BM, H929,8226 cells) when compared to non-malignant cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MM.1S BzR cells Concentration: 0.01, 0.1, 1, 10, 100 µM Incubation Time: 24 hours Result: Showed anti-MM activity , with an EC 50 of 0.59 μM.
In Vivo
E64FC26 (2 mg/ kg; i.p.; three days a week for 7days) shows anti-MM effect in NSG mice model, and increases median survival by 2 weeks . ?\nThe combination of E64FC26 and Bortezomib produced the greatest improvement in survival, extending the median survival by 20 days . ?\nPharmacokinetic of E64FC26 was measured in CD-1 mice. E64FC26 was administered i.v. (2 mg/kg; gray tracing) or p.o. (5 mg/ kg; blue tracing) and plasma drug concentrations were measured over a 24 h period. In CD-1 mice demonstrated adequate oral bioavailabilty of 34% with systemic exposure approaching a maximum concentration (C max ) of 400 nM after a single oral dose of 5 mg/kg with a terminal half-life of 9.5 h . ?\nVk*MYC transgenic mice are treated with E64FC26 (2 mg/kg, i.p., 3 days/week) for two consecutive weeks. E64FC26 treatment induces an immediate anti-MM response, decreasing serum M-protein in all mice by an average of 33 ± 7.9% . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: NOD-SCID IL2Rγ-/- (NSG) mice (bearing MM.1S cells) Dosage: 2 mg/ kg Administration: i.p.; three days a week for 7days Result: Showed a clear anti-MM effect in this model also, increasing median survival by 2 weeks.
Form:Solid
规格
规格或纯度
≥99%
英文名称
E64FC26
生化机理
E64FC26 是蛋白二硫异构酶（PDI）家族的强效泛抑制剂，对 PDIA1、PDIA3、PDIA4、TXNDC5 和 PDIA6 的 IC 50 s 分别为 1.9、20.9、25.9、16.3 和 25.4 μM。E64FC26 具有抗骨髓瘤活性。
储存条件
-20°C储存
运输条件
超低温运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
分子类型
未知
IUPAC Name
(1E)-1-nonylidene-3-(trifluoromethyl)indene-5,6-diol
INCHI
1S/C19H23F3O2/c1-2-3-4-5-6-7-8-9-13-10-16(19(20,21)22)15-12-18(24)17(23)11-14(13)15/h9-12,23-24H,2-8H2,1H3/b13-9+
InChi Key
OWYMWLCFHDHVAH-UKTHLTGXSA-N
Smiles
CCCCCCCCC=C1C=C(C2=CC(=C(C=C21)O)O)C(F)(F)F
Isomeric SMILES
CCCCCCCC/C=C/1\C=C(C2=CC(=C(C=C21)O)O)C(F)(F)F
PubChem CID
分子量
340.38
技术文档
高级数据
三维结构
交互式化学结构模型
关联靶点（人）
CYP3A4
Tclin
Cytochrome P450 3A4
(53859 活性数据)
PDIA6
Tchem
Protein disulfide-isomerase A6
(26 活性数据)
PDIA4
Tbio
Protein disulfide-isomerase A4
(11 活性数据)
PDIA3
Tbio
Protein disulfide-isomerase A3
(22 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 (293.79 mM; Need ultrasonic)
分子量
340.400 g/mol
XLogP3
6.500
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
5
可旋转键计数Rotatable Bond Count
7
精确质量Exact Mass
340.165 Da
单同位素质量Monoisotopic Mass
340.165 Da
拓扑极表面积Topological Polar Surface Area
40.500 Ų
重原子数Heavy Atom Count
24
形式电荷Formal Charge
0
复杂度Complexity
468.000
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
1
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
1
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
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