计算溶液所需的质量、体积或浓度。
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
2-8°C储存,干燥。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
Valemetostat (DS-3201) tosylate, a first-in-class EZH1/2 dual inhibitor with IC 50 values ＜10 nM. Valemetostat tosylate can be used for the research of relapsed/refractory peripheral T-cell lymphoma
In Vitro
Valemetostat tosylate (1-1000 nM) strongly and specifically inhibits EZH1 and EZH2 with IC 50 values ＜10 nM. Valemetostat tosylate (100 nM; 7 d) effectively removes H3K27me3 and also prevents unexpected gain of H3K27me3. Valemetostat tosylate (0.1-100 nM; 7 d) potently inhibits H3K27me3 by low-dose treatment in the sensitive lymphoma types. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Valemetostat tosylate (0.01 mg/g; i.p.; once) prevents the changes of H3K27me3 after exercise training. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57BL/6J mice with chronic and acute running exercise or without exercise Dosage: 0.01 mg/g Administration: Intraperitoneal injection; 0.01 mg/g; 30 min before the start of running exercise Result: Significantly increased the level of H3K27me3 , slightly decresed EZH1 level , upregulated the EZH2 level and increased the level of phosphorylated AMPK after exercise. Repressed myonuclear H3K27me3 accumulation during training and caused a failure of adaptive changes.
Form:Solid
IC50& Target:EZH1
规格
别名
伐美司他甲磺酸盐
英文别名
1809336-93-3 (tosylate) | Valemetostat tosylate | AKOS040740514 | Valemetostat tosylayte | MS-31014 | DS-3201 tosylate | VALEMETOSTAT TOSILATE [JAN] | (2R)-7-chloro-2-[trans-4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methy
规格或纯度
≥98%
英文名称
Valemetostat tosylate
生化机理
Valemetostat (DS-3201) tosylate 是第一类 EZH1/2 双抑制剂，IC 50 值＜10 nM。Valemetostat tosylate 可用于复发/难治性外周 T 细胞淋巴瘤的研究。
储存条件
2-8°C储存,干燥
运输条件
低温运输
纯度
≥98%
名称和识别符
分子类型
小分子
IUPAC Name
(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;4-methylbenzenesulfonic acid
INCHI
1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17?,18?,26-;/m1./s1
InChi Key
JSBKGJUYSLVFPF-RRKMXGHKSA-N
Smiles
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N(C)C)Cl)C
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N(C)C)Cl)C
关联CAS
PubChem CID
分子量
660.22
技术文档
高级数据
三维结构
交互式化学结构模型
化学和物理性质
溶解性
DMSO : 100 mg/mL (151.46 mM; Need ultrasonic)
分子量
660.200 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
3
氢键受体数Hydrogen Bond Acceptor Count
8
可旋转键计数Rotatable Bond Count
6
精确质量Exact Mass
659.243 Da
单同位素质量Monoisotopic Mass
659.243 Da
拓扑极表面积Topological Polar Surface Area
143.000 Ų
重原子数Heavy Atom Count
45
形式电荷Formal Charge
0
复杂度Complexity
1090.000
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
2
安全和危险性（GHS）
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）