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BAY-598,≥98% (HPLC)

别名:(S)-N-[1-{N'-氰基-N-[3-(二氟甲氧基)苯基]氨基甲酰氨基}-3-(3,4-二氯苯基)-4,5-二氢-1H-吡唑-4- 基]-N-乙基-2-羟基乙酰胺;(S)-N-[1-{N′-Cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide

Empirical Formula (Hill Notation): C22H20Cl2F2N6O3 分子量: 525.34 PubChem化学物质编号: 329825489
制造商品牌: 西格玛 Sigma-Aldrich
货号(SKU): SML1603
CAS号: 1906919-67-2
MDL号: MFCD30146419
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$736.68

说明

包装

5, 25 mg in glass bottle
 

生化/生理作用

BAY-598 is a potent, peptide-competitive chemical probe for SET and MYND domain-containing protein 2 (SMYD2), a lysine methyl transferase inhibitor that dimethylates histone H3K36 and methylates histone H3K4. SMYD2 also methylates Lys-370 of p53, leading to decreased DNA-binding activity. SMYD2 is over-expressed in several cancers with poor prognosis. BAY-598 inhibits in vitro methylation of p53K370 with an IC50 value of 27 nM and in cells with an IC50 value < 1 μM. BAY-598 is more than 100-fold selective over other histone methyltransferases and non-epigenetic targets. BAY-598 can be used with in vivo experiments. For full characterization details, please visit the BAY-598 probe summary on the Structural Genomics Consortium (SGC) website.

BAY-369 is the negative control for the active probe, BAY-598. To request a sample of the negative control from the SGC, click here.
To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc
 
BAY-598 是一种有效的肽竞争性化学探针,用于 SET 和 MYND 结构域蛋白 2 (SMYD2),这是一种赖氨酸甲基转移酶抑制剂,可将组蛋白 H3K36 二甲基化并甲基化组蛋白 H3K4。 SMYD2 还会甲基化 p53 的 Lys-370,导致 DNA 结合活性降低。 SMYD2 在几种预后较差的癌症中过度表达。 BAY-598 抑制 p53K370 的体外甲基化,IC50 值为 27 nM,IC50 值 < 1 μM。 BAY-598 的选择性比其他组蛋白甲基转移酶和非表观遗传靶点高 100 倍以上。 BAY-598 可用于体内实验。
 

特点和优势

BAY-598 is an epigenetic chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC epigenetic probes, visit sigma.com/SGC.
This compound is a featured product for Gene Regulation research. Click here to discover more featured Gene Regulation products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.
 

其他说明

BAY-598 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the BAY-598 probe summary on the Chemical Probes Portal website.
 

属性

质量水平

100

测定

≥98% (HPLC)

形式

powder

旋光性

[α]/D -85 to -95°, c = 1 in methanol

颜色

white to beige

溶解性

DMSO: 25 mg/mL, clear

储存温度

2-8°C

SMILES string

ClC1=C(Cl)C=C(C2=NN(C(NC3=CC=CC(OC(F)F)=C3)=NC#N)C[C@@H]2[C@H](CC)C(CO)=O)C=C1

InChI

1S/C23H21Cl2F2N5O3/c1-2-16(20(34)11-33)17-10-32(31-21(17)13-6-7-18(24)19(25)8-13)23(29-12-28)30-14-4-3-5-15(9-14)35-22(26)27/h3-9,16-17,22,33H,2,10-11H2,1H3,(H,29,30)/t16?,17-/m1/s1

InChI key

LOHNYXGTWKNYDF-ZYMOGRSISA-N

 

安全信息

象形图

Exclamation mark

警示用语:

Warning

危险声明

预防措施声明

商品规格
属性名称属性值
储存温度 Storage temp.2-8°C冷藏
全球实时库存 Availability √美国St. Louis ≥ 33 | 欧洲Eur. ≥ 27 | 東京Tokyo ≥ 9 | 香港与北京 ≥ 16