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ABBV-744

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纯度: 99.79%

货号 T4697Cas号 2138861-99-9

别名 ABBV744

ABBV-744 是一种 BDII 选择性 BET 溴结构域抑制剂,可抑制 BRD2/3/4。 它可研究炎症性疾病、癌症和艾滋病。

ABBV-744
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ABBV-744

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Rating icon 很棒

纯度: 99.79%

货号 T4697 别名 ABBV744Cas号 2138861-99-9

ABBV-744 是一种 BDII 选择性 BET 溴结构域抑制剂,可抑制 BRD2/3/4。 它可研究炎症性疾病、癌症和艾滋病。

规格价格库存数量
1 mg
¥ 377
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2 mg
¥ 577
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5 mg
¥ 987
现货
10 mg
¥ 1,650
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25 mg
¥ 3,270
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50 mg
¥ 4,430
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100 mg
¥ 5,970
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200 mg
¥ 8,190
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500 mg
¥ 12,200
现货
1 mL x 10 mM (in DMSO)
¥ 1,120
现货
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产品介绍


ABBV-744 AI Summary
ABBV-744 exhibits significant pharmacological properties, including antiviral activity against SARS-CoV-2 in the Vero E6 cell line with an IC50 value of approximately 3467368.5 nM and a selectivity ratio of 0.548, indicative of a favorable balance between viral inhibition and cytotoxicity. It also demonstrates potent bioactivity as a BET bromodomain inhibitor, showing high selectivity for BRD4 BD2 over BD1 with a Ki ratio of 330.0 and effective inhibition of BRD4 BD2 with a Ki of 1.6 nM. The compound has antiproliferative activity in SKM1 cells with an IC50 of 6.7 nM and favorable oral bioavailability ranging from 24.0% to 77.0% in multiple species. It inhibits BRD4 bromodomain 1 and 2 with IC50 values of 327.5 nM and 3.3 nM, respectively, and has antiproliferative effects on human MV4-11 cells with an IC50 value of 250.0 nM after 72 hours. ABBV-744 displays binding affinity to the BRD4 BD2 domain with an IC50 of 6.31 nM and the BD1 domain with an IC50 of 398.11 nM, exhibiting a selectivity index of 60.0 for BD2 over BD1. The compound has a solubility of 26.0 μg/mL, permeability of 413.0 nm/s, and a distribution coefficient (logD) of 5.1. In growth rate assays, the compound causes variable effects, exhibiting both inhibitory and stimulatory actions on cell viability. It has a dissociation constant (Kd) of 3300.0 nM for BRD4 BD1 and 2.1 nM for BRD4 BD2, reflecting a stronger interaction with BRD4 BD2, with the lowest IC50 for BRD4 BD2 inhibition at 0.65 nM. Additionally, it impacts the thermal stability of various protein domains, suggesting its potential to modulate protein stability. Overall, ABBV-744 is a promising candidate with potent antiviral, BET bromodomain inhibition, and antiproliferative properties, warranting further research for therapeutic applications..
Note: Summary generated by AI. Data source: ChEMBL
生物活性
产品描述
ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2/3/4. It is used in the research on inflammatory diseases, cancer, and AIDS.
靶点活性
BRD4 BD2:3 nM (Kd), BRD4 BD2:4 nM (IC50), BRD3 BD2:13 nM (IC50), BRDT BD2:18 nM (IC50), BRD2 BD2:8 nM (IC50)
别名ABBV744
化学信息
分子量491.55
分子式C28H30FN3O4
CAS No.2138861-99-9
SmilesCCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
密度1.262 g/cm3 (Predicted)
储存&溶解度
存储In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
溶解度信息
DMSO: 230 mg/mL (467.91 mM), Sonication is recommended.
体内实验配方
10% DMSO+40% PEG300+5% Tween 80+45% Saline: 2 mg/mL (4.07 mM), Sonication is recommended.
请按顺序添加溶剂,在添加下一种溶剂之前,尽可能使溶液澄清。如有必要,可通过加热、超声、涡旋处理进行溶解。工作液建议现配现用。以上配方仅供参考,体内配方并不是绝对的,请根据不同情况进行调整。
溶液配制表
DMSO
1mg5mg10mg50mg
1 mM2.0344 mL10.1719 mL20.3438 mL101.7191 mL
5 mM0.4069 mL2.0344 mL4.0688 mL20.3438 mL
10 mM0.2034 mL1.0172 mL2.0344 mL10.1719 mL
20 mM0.1017 mL0.5086 mL1.0172 mL5.0860 mL
50 mM0.0407 mL0.2034 mL0.4069 mL2.0344 mL
100 mM0.0203 mL0.1017 mL0.2034 mL1.0172 mL

计算器

  • 摩尔浓度 计算器
  • 稀释 计算器
  • 配液 计算器
  • 分子量 计算器

体内实验配液计算器

请在以下方框中输入您的动物实验信息后点击计算,可以得到母液配置方法和体内配方的制备方法:
TargetMol | Animal experiments 比如您的给药剂量是10 mg/kg,每只动物体重20g,给药体积100 μLTargetMol | Animal experiments 一共给药动物10只,您使用的配方为5%TargetMol | reagent DMSO + 30%PEG300 + 5%Tween 80 + 60%Saline/PBS/ddH2O, 那么您的工作液浓度为2mg/mL
母液配置方法: 2 mg 药物溶于 50 μLDMSOTargetMol | reagent ( 母液浓度为 40 mg/mL ), 如您需要配置的浓度超过该产品的溶解度,请先与我们联系。
体内配方的制备方法:50μLDMSOTargetMol | reagent 母液,添加 300 μLPEG300TargetMol | reagent 混匀澄清,再加 50μLTween80, 混匀澄清,再加 600μLSaline/PBS/ddH2OTargetMol | reagent 混匀澄清

以上为“体内实验配液计算器”的使用方法举例,并不是具体某个化合物的推荐配制方式,请根据您的实验动物和给药方式选择适当的溶解方案。

方案所需的各类助溶剂如: DMSOPEG300 / PEG400Tween 80SBE-β-CD玉米油 等, 均可在TargetMol网站点击购买。
1 请输入动物实验的基本信息
mg/kg
g
μL
2 请输入动物体内配方组成,不同的产品配方组成不同,如有配方需求,可先联系我们提供正确的体内配方。
% DMSO
%
% Tween 80
% Saline/PBS/ddH2O

剂量转换

对于不同动物的给药剂量换算,您也可以参考 更多

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