STING agonist-4

≥98%

CAS编号: 2138300-40-8
分子式: C₃₄H₃₈N₁₂O₄
分子量: 678.74
PubChem编号: 132000066

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货号 (SKU)	包装规格	是否现货
S646150-1mg	1mg	期货
S646150-5mg	5mg	期货
S646150-10mg	10mg	期货
S646150-50mg	50mg	期货
S646150-100mg	100mg	期货

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Immunology/Inflammation (1941) STING (53)

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基本描述

别名	STING 激动剂-4
规格或纯度	≥98%
英文名称	STING agonist-4
生化机理	STING 激动剂-4 是一种干扰素基因（STING）受体激动剂，其表观抑制常数（IC 50）为 20 nM。STING 激动剂-4 是一种基于两种对称性相关氨基苯并咪唑（ABZI）的化合物，可制成连接的 ABZIs（diABZIs），具有以下特点
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	STING agonist-4 is an stimulator of Interferon Genes (STING) receptor agonist with an apparent inhibitory constant ( IC 50 ) of 20 nM. STING agonist-4 is a two symmetry-related amidobenzimidazole ( ABZI )-based compound to create linked ABZIs (diABZIs) with enhanced binding to STING and cellular function In Vitro STING agonist-4 (Compound 2) (0.3-30 μM; 2 hours) causes phosphorylation of IRF3 and STING that is inhibited by the TBK1 inhibitor BX795 and induces dose-dependent secretion of IFN-β with an EC 50 of 3.1 μM. STING agonist-4 (Compound 2) (0.001 nM-1 μM) inhibits binding of full-length STING to the solid support with an apparent dissociation constant (K d ) of approximately 1.6 nM. STING agonist-4 (Compound 2) (0-100 μM) is 18-fold more potent than cGAMP (an endogenous STING ligand), with an EC 50 of 53.9 μM. STING agonist-4 (Compound 2) (3 μM; 4 hours) promotes production of interferon γ-induced protein 10 (IP-10), IL-6 and TNF-α by a mechanism that is dependent on STING-mediated activation of TBK1. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Human peripheral blood mononuclear cells (PBMCs) Concentration: 0.3 μM, 1 μM, 3 μM, 10 μM and 30 μM Incubation Time: 2 hours Result: Caused phosphorylation of IRF3 and STING and induced secretion of IFN-β. Form:Solid IC50& Target:IC50: 20 nM (STING agonist-4)

关联靶点（人）

TMEM173 Tchem 干扰素基因蛋白刺激剂(Stimulator of interferon genes protein) (3 活性数据)

点击查看靶蛋白信息： TMEM173

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

TBK1 Tchem Serine/threonine-protein kinase TBK1 (3746 活性数据)

点击查看靶蛋白信息： TBK1

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）

Sting1 Stimulator of interferon genes protein (255 活性数据)

点击查看靶蛋白信息： Sting1

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	未知
IUPAC Name	1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
INCHI	InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)
InChi Key	ICZSAXDKFXTSGL-UHFFFAOYSA-N
Canonical SMILES	CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2CCCCN4C5=C(C=C(C=C5)C(=O)N)N=C4NC(=O)C6=CC(=NN6CC)C)C=CC(=C3)C(=O)N
Isomeric SMILES	CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2CCCCN4C5=C(C=C(C=C5)C(=O)N)N=C4NC(=O)C6=CC(=NN6CC)C)C=CC(=C3)C(=O)N
PubChem CID	132000066
分子量	678.74

化学和物理性质

溶解性	DMSO : 10 mg/mL (14.73 mM; Need ultrasonic) H2O : <0.1 mg/mL (insoluble)
分子量	678.700 g/mol
XLogP3	2.000
氢键供体数Hydrogen Bond Donor Count	4
氢键受体数Hydrogen Bond Acceptor Count	8
可旋转键计数Rotatable Bond Count	13
精确质量Exact Mass	678.314 Da
单同位素质量Monoisotopic Mass	678.314 Da
拓扑极表面积Topological Polar Surface Area	216.000 Å²
重原子数Heavy Atom Count	50
形式电荷Formal Charge	0
复杂度Complexity	1150.000
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