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) |
|---|
为什么选择此级别
，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
-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 5 篇同行评审文献引用。
概述
Information
(+)-JQ1 is a BET bromodomain inhibitor, with IC50 of 77 nM/33 nM for BRD4(1/2) in cell-free assays, binding to all bromodomains of the BET family, but not to bromodomains outside the BET family. (+)-JQ1 suppresses cell proliferation via inducing autophagy
In vitro
(+)-JQ1 enantiomer binds directly into the Kac binding site of BET bromodomains. (+)-JQ1 (500 nM) binds BRD4 competitively with chromatin resulting in differentiation and growth arrest of NMC cells. (+)-JQ1 (500 nM) attenuates rapid proliferation of NMC 797 and Per403 cell lines as demonstrated by reduced Ki67 staining. (+)-JQ1 (500 nM) potently decreases expression of both BRD4 target genes in NMC 797 cells. (+)-JQ1 inhibits cellular viability with IC50 of 4 nM in NMC 11060 cells. (+)-JQ1 results in robust inhibition of MYC expression in MM cell lines. (+)-JQ1 inhibits proliferating of KMS-34 and LR5 with IC50 of 68 nM and 98 nM, respectively. (+)-JQ1 (500 nM)-treated MM.1S cells results in a pronounced decrease in the proportion of cells in S-phase, with a concomitant increase in cells arrested in G0/G1. (+)-JQ1 (500 nM) results in pronounced cellular senescence by beta-galactosidase staining. (+)-JQ1 (800 nM) exposure leads to a significant reduction in cell viability among the majority of CD138+ patient-derived MM samples tested. (+)-JQ1 inhibits growth of LP-1 cells with GI50 of 98 nM. (+)-JQ1 (625 nM) results in an increase in the percentage of LP-1 cells in G0/G1. (+)-JQ1 (500 nM) suppresses the expression of MYC, BRD4 and CDK9 in LP-1 cells. (+)-JQ1 (1 μM) activates HIV transcription in latently infected Jurkat T cells. (+)-JQ1 (50 μM) stimulates predominantly Tat-dependent HIV transcription in both Jurkat and HeLa cells. (+)-JQ1 (5 μM) induces Brd4 dissociation enables Tat to recruit SEC to HIV promoter and induce Pol II CTD phosphorylation and viral transcription in J-Lat A2 cells. JQ1 enables Tat to increase CDK9 T-loop phosphorylation and partially dissociates P-TEFb from 7SK snRNP in Jurkat T cells.
In vivo
(+)-JQ1 (50 mg/kg) inhibits tumors growth in mice with NMC 797 xenografts. (+)-JQ1 (50 mg/kg) results in effacement of NUT nuclear speckles in mice with NMC 797 xenografts, consistent with competitive binding to nuclear chromatin. (+)-JQ1 (50 mg/kg) induces strong (grade 31) keratin expression in NMC 797 xenografts. (+)-JQ1 (50 mg/kg) promotes differentiation, tumor regression and prolonged survival in mice models of NMC xenografts. (+)-JQ1 (50 mg/kg) results in a significant prolongation in overall survival of SCID-beige mice orthotopically xenografted after intravenous injection with MM.1S-luc+ cells compared to vehicle-treated animals. (+)-JQ1 (50 mg/kg i.p.) leads to a highly significant increase in survival of mice bearing Raji xenografts.
Cell Data
cell lines：
Concentrations：~500 nM
Incubation Time：48 hours
Powder Purity:≥99%
规格
英文别名
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-
规格或纯度
10mM in DMSO
英文名称
(+)-JQ1
生化机理
(+)-JQ1是一种BET溴域抑制剂，在无细胞试验中对BRD4(1/2)的IC50为77 nM/33 nM，能与BET家族的所有溴域结合，但不能与BET家族以外的溴域结合。(+)-JQ1 通过诱导自噬抑制细胞增殖。(+)-JQ1能抑制核受体结合SET结构域蛋白3（NSD3）靶基因的表达。
储存条件
-80℃储存
运输条件
特低温运输
名称和识别符
PubChem SID
EC号
194-338-7
分子类型
小分子
Isomeric SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
分子量
456.99
Reaxy-Rn
21994149
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21994149&ln=
技术文档
高级数据
关联靶点（人）
BRD4
Tchem
含溴结构域蛋白 4(Bromodomain-containing protein 4)
(115 活性数据)
BRDT
Tchem
溴结构域睾丸特异性蛋白(Bromodomain testis-specific protein)
(7 活性数据)
BRD3
Tchem
含溴结构域蛋白 3(Bromodomain-containing protein 3)
(19 活性数据)
BRD2
Tchem
含溴结构域蛋白 2(Bromodomain-containing protein 2)
(25 活性数据)
化学和物理性质
溶解性
Solubility (25°C) In vitro DMSO: 103 mg/mL (200.43 mM); Ethanol: 22 mg/mL (42.81 mM); Water: Insoluble;
分子量
457.000 g/mol
XLogP3
4.900
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
6
可旋转键计数Rotatable Bond Count
5
精确质量Exact Mass
456.139 Da
单同位素质量Monoisotopic Mass
456.139 Da
拓扑极表面积Topological Polar Surface Area
97.600 Ų
重原子数Heavy Atom Count
31
形式电荷Formal Charge
0
复杂度Complexity
706.000
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)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
技术文档和文章
Three Key Components of PROTAC Design: E3 Ligase Ligands, Linkers, and Target Protein Ligands (with an Aladdin Reagent Selection Guide)
目录： 技术文章
Small-Molecule Inhibitors: A Practical Guide for Research Selection — A Minimal Evidence Chain and Scenario-Based Validation Framework (Including a Selection Matrix, Case Cards, and Product Tables 1–4)
目录： 技术文章
How to Determine Whether a Protein Is Suitable for Targeted Degradation: From Degradation Pathway and Molecular Design to Mechanism Validation
目录： 技术文章
If the DNA Sequence Remains Unchanged, Why Does Gene Expression Change? Core Mechanisms and Research Methods of Epigenetic Regulation
目录： 技术文章
Protein Degradation-Targeting Chimeras (PROTACs): Molecular Design, Degradation Mechanisms, Experimental Evaluation, and Research Tools
目录： 技术文章
此产品的引用文献
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。
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