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A 366, 表色素组蛋白赖氨酸甲基转移酶 1 抑制剂;表色素组蛋白赖氨酸甲基转移酶 2 抑制剂

强效和选择性的G9a / GLP抑制剂
有货

库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
A421810-1ml
1ml 现货 Stock Image

基本描述

别名 5'-甲氧基-6'-[3-(1-吡咯烷基)丙氧基]螺[环丁烷-1,3'-[3H]吲哚] -2'-胺
英文别名 s7572 | 1527503-11-2 | HY-12583 | AKOS024458525 | A900236 | BKCDJTRMYWSXMC-UHFFFAOYSA-N | BCP17827 | CCG-267804 | 5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine | 5'-Methoxy-6'-[3-(Pyrrolidin-1-Yl)propoxy]spiro[cyclobutane
规格或纯度 Moligand™, 10mM in DMSO
英文名称 A 366
生化机理 有力和选择性的G9a / GLP组蛋白赖氨酸甲基转移酶抑制剂(IC50 = 3.3 nM)。与其他21种甲基转移酶相比,G9a / GLP的选择性> 1000倍。降低PC3细胞中组蛋白H3(H3K9Me2)上赖氨酸9的二甲基化水平。
储存温度 -80℃储存
运输条件 超低温冰袋运输
作用类型 抑制剂
作用机制 表色素组蛋白赖氨酸甲基转移酶 1 抑制剂;表色素组蛋白赖氨酸甲基转移酶 2 抑制剂
产品介绍

A-366 是一种高效、高选择性的肽竞争性组蛋白甲基转移酶 G9a 抑制剂,对 G9a 和 GLP 的 IC50 分别为 3.3 和 38 nM。A-366 比其他 21 种甲基转移酶具有 1000 倍以上的选择性。A-366 是一种有效的 Spindlin1-H3K4me3 相互作用的抑制剂 (IC50=182.6 nM)。A-366 对人 H3R (Ki=17 nM) 表现出很高的亲和力,并且在组胺能和多巴胺能受体家族的亚群间表现出亚型选择性。


关联靶点(人)

EHMT2 Tchem 组蛋白赖氨酸N-甲基转移酶EHMT2(Histone-lysine N-methyltransferase EHMT2) (7 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)
EHMT1 Tchem 组蛋白赖氨酸N-甲基转移酶EHMT1(Histone-lysine N-methyltransferase EHMT1) (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)
SPIN1 Tchem 斯宾德林-1(Spindlin-1) (6 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)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PC-3 (62116 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
U2OS (164939 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MV4-11 (7307 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT3 Tchem Protein arginine N-methyltransferase 3 (219 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 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
PRMT6 Tchem Protein arginine N-methyltransferase 6 (321 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DOT1L Tchem Histone-lysine N-methyltransferase, H3 lysine-79 specific (648 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT5A Tchem N-lysine methyltransferase SETD8 (202 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SUV39H2 Tchem Histone-lysine N-methyltransferase SUV39H2 (524 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMYD2 Tchem N-lysine methyltransferase SMYD2 (395 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (2012 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EZH1 Tchem Histone-lysine N-methyltransferase EZH1 (112 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMYD3 Tchem Histone-lysine N-methyltransferase SMYD3 (260 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT5C Tchem Histone-lysine N-methyltransferase SUV420H2 (49 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT5B Tchem Histone-lysine N-methyltransferase SUV420H1 (49 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SETDB1 Tbio Histone-lysine N-methyltransferase SETDB1 (88 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
NSD2 Tchem Histone-lysine N-methyltransferase NSD2 (803 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NSD3 Tchem Histone-lysine N-methyltransferase NSD3 (55 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SETD2 Tchem Histone-lysine N-methyltransferase SETD2 (119 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT8 Tchem Protein arginine N-methyltransferase 8 (122 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
PRMT5 Tchem PRMT5/MEP50 complex (963 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
WDR5 Tchem MLL1/ASH2L/RBBP5/WDR5 complex (16 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EZH2 Tclin EZH2/SUZ12/EED complex (20 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EZH1 Tchem EZH1/SUZ12/EED/AEBP2/RBBP4 complex (29 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HEK-293T (167025 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT1 Tchem Histone-lysine N-methyltransferase EHMT1/EHMT2 (8 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SPIN4 Tchem Spindlin-4 (4 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SPIN3 Tchem Spindlin-3 (4 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SPIN2B Tchem Spindlin-2B (4 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)

Mapk1 MAP kinase ERK2 (650 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 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

EC号 808-907-0
分子类型 小分子
IIUPAC Name 5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine
INCHI 1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
InChi Key BKCDJTRMYWSXMC-UHFFFAOYSA-N
Smiles COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4
Isomeric SMILES COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4
关联CAS 1527503-11-2
MeSH Entry Terms 5'-methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro(cyclobutane-1,3'-indol)-2'-amine;A-366 compound
分子量 329.44
Reaxy-Rn 26624812
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26624812&ln=

化学和物理性质

分子量 329.400 g/mol
XLogP3 2.200
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 4
可旋转键计数Rotatable Bond Count 6
精确质量Exact Mass 329.21 Da
单同位素质量Monoisotopic Mass 329.21 Da
拓扑极表面积Topological Polar Surface Area 60.100 Ų
重原子数Heavy Atom Count 24
形式电荷Formal Charge 0
复杂度Complexity 471.000
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

安全和危险性(GHS)

象形图 GHS09
信号词 警告
危险声明

H400: 对水生生物有剧毒

H410: 对水生生物有剧毒并具有长期持续影响

预防措施声明

P273: 避免释放到环境中。

P391: 收集溢出物

P501: 将内容物/容器处理到。。。

WGK Germany 3
RIDADR UN30779/PGIII

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