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CF53

COA COA
    级别和纯度:
  • ≥99%
有货

库存信息

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库存信息

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
C646598-5mg
 5mg 期货 Stock Image
C646598-10mg
 10mg 期货 Stock Image
C646598-50mg
 50mg 期货 Stock Image
大包装询价 收藏夹 比较  SDS下载  DATASHEET  质量标准
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Epigenetic Reader Domain (784) Histone Acetyltransferase (79) Histone Modification (3105) 表观遗传学 (1497)
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基本描述

规格或纯度 ≥99%
英文名称 CF53
生化机理 CF53 是一种高效、选择性和口服活性的 BET 蛋白抑制剂，其 K i 小于 1 nM，K d 为 2.2 nM，对 BRD4 BD1 的 IC 50 为 2 nM。CF53 可与 BRD2、BRD3、BRD4 和 BRDT BET 蛋白的 BD1 和 BD2 结构域结合，具有很高的亲和力。
储存温度 -20°C储存,充氩
运输条件 超低温冰袋运输
作用类型 抑制剂
产品介绍


CF53 is a highly potent, selective and orally active inhibitor of BET protein, with a K i of <1 nM, K d of 2.2 nM and an IC 50 of 2 nM for BRD4 BD1. CF53 binds to both the BD1 and BD2 domains of BRD2 , BRD3 , BRD4 , and BRDT BET proteins with high affinities, very selective over non-BET bromodomain-containing proteins. CF53 shows potent anti-tumor activity both in vitro and in vivo

In Vitro

CF53 (Compound 28) binds to both the BD1 and BD2 domains of BRD2, BRD3, BRD4, and BRDT BET proteins with high affinities, K d s are 1.1 nM (BRD2 BD1), 0.6 nM (BRD2 BD2), 0.52 nM (BRD3 BD1), 0.49 nM (BRD3 BD2), 0.8 nM (BRD4 BD2), 2 nM (BRDT BD1), 2.1 nM (BRDT BD2), 47 nM (CREBBP), 570 nM (CECR2), 110 nM (EP300), respectively. CF53 exhibits IC 50 s of 7, 85 nM against MOLM-13 acute leukemia and MDA-MB-231 breast cancer cell lines, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

CF53 (25, 50 mg/kg, p.o.) exhibits potent anti-tumor activity both in MDA-MB-231 xenograft tumor model and in RS4;11 model in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:BRD4 (BD1) <1 nM (Ki) BRD4 (BD1) 2 nM (IC 50 ) BRD4 (BD1) 2.2 nM (Kd) BRD4 (BD2) 0.8 nM (Kd) BRD2 (BD2) 0.6 nM (Kd) BRD2 (BD1) 1.1 nM (Kd) BRD3 (BD2) 0.49 nM (Kd) BRD3 (BD1) 0.52 nM (Kd) BRDT (BD2) 1 nM (Kd) BRDT (BD1) 2 nM (Kd) CECR2 570 nM (Kd)
纯度 ≥99%

关联靶点（人）

EP300 Tchem 组蛋白乙酰转移酶 p300(Histone acetyltransferase p300) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CREBBP Tchem CREB结合蛋白(CREB-binding protein) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
BRD4 Tchem 含溴结构域蛋白 4(Bromodomain-containing protein 4) (3 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CECR2 Tchem 猫眼综合征关键区域蛋白 2(Cat eye syndrome critical region protein 2) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
BRDT Tchem 溴结构域睾丸特异性蛋白(Bromodomain testis-specific protein) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
BRD3 Tchem 含溴结构域蛋白 3(Bromodomain-containing protein 3) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
BRD2 Tchem 含溴结构域蛋白 2(Bromodomain-containing protein 2) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EP300 Tchem Histone acetyltransferase p300 (1259 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KAT2B Tchem Histone acetyltransferase PCAF (884 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CREBBP Tchem CREB-binding protein (1602 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD2 Tchem Bromodomain-containing protein 2 (1296 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PBRM1 Tchem Protein polybromo-1 (712 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD3 Tchem Bromodomain-containing protein 3 (1086 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ATAD2 Tchem ATPase family AAA domain-containing protein 2 (598 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (162 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD1 Tchem Bromodomain-containing protein 1 (256 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ATAD2B Tchem ATPase family AAA domain-containing protein 2B (90 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMARCA2 Tchem Probable global transcription activator SNF2L2 (466 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RS4-11 (1012 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMARCA4 Tchem Transcription activator BRG1 (263 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BPTF Tchem Nucleosome-remodeling factor subunit BPTF (194 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD7 Tchem Bromodomain-containing protein 7 (146 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CECR2 Tchem Cat eye syndrome critical region protein 2 (340 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD9 Tchem Bromodomain-containing protein 9 (684 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TAF1L Tchem Transcription initiation factor TFIID subunit 1-like (141 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BAZ2A Tchem Bromodomain adjacent to zinc finger domain protein 2A (266 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRPF3 Tchem Bromodomain and PHD finger-containing protein 3 (154 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TAF1 Tchem Transcription initiation factor TFIID subunit 1 (441 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRWD1 Tbio Bromodomain and WD repeat-containing protein 1 (55 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD8 Tbio Bromodomain-containing protein 8 (40 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

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

名称和识别符

分子类型 小分子
IIUPAC Name N-(5-cyclopropyl-2-methylpyrazol-3-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
INCHI 1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
InChi Key JIYPVUCBRQNICX-UHFFFAOYSA-N
Smiles CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC(=N4)C)NC5=CC(=NN5C)C6CC6)OC
Isomeric SMILES CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC(=N4)C)NC5=CC(=NN5C)C6CC6)OC
PubChem CID 118340554
MeSH Entry Terms BET inhibitor CF53;N-(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido(4,5-b)indol-4-amine
分子量 443.50

化学和物理性质

溶解性 DMSO : 110 mg/mL (248.03 mM; Need ultrasonic)
分子量 443.500 g/mol
XLogP3 4.300
氢键供体数Hydrogen Bond Donor Count 2
氢键受体数Hydrogen Bond Acceptor Count 7
可旋转键计数Rotatable Bond Count 5
精确质量Exact Mass 443.207 Da
单同位素质量Monoisotopic Mass 443.207 Da
拓扑极表面积Topological Polar Surface Area 107.000 Ų
重原子数Heavy Atom Count 33
形式电荷Formal Charge 0
复杂度Complexity 710.000
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 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:

溶液计算器

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