GlyH 101, CFTR 通道阻断剂

依赖电压的可逆CFTR氯离子通道阻滞剂

Moligand™

10mM in DMSO

CAS编号: 328541-79-3
分子式: C₁₉H₁₅Br₂N₃O₃
分子量: 493.15
PubChem编号: 135476586

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货号 (SKU)	包装规格	是否现货	价格	数量
G423352-1ml	1ml	现货

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Compound libraries (12332) 膜转运体 (739)

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基本描述

别名	N-2-萘-2-([(3,5-二溴-2,4-二羟基苯基)亚甲基]甘氨酸酰肼 \| 甘氨酸101
英文别名	N-2-Naphthalenyl-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene]glycine hydrazide \| N-(2-Naphthalenyl)-((3,5-dibromo-2,4-dihydroxyphenyl)methylene)glycine hydrazide, CFTR Inhibitor II \| GlyH-101 \| N'-[(3,5-dibromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-yliden
规格或纯度	Moligand™, 10mM in DMSO
英文名称	GlyH 101
生化机理	细胞渗透性：是目标 IC50：50 µM 时抑制率为 95 产品不与 ATP 竞争。目标 Ki：在表达 CFTR 的 FRT 细胞中对顶端膜 Cl- 电流的抑制作用为 4.3 µM 可逆：是主要靶标 CFTR
储存温度	避光,-80℃储存
运输条件	超低温冰袋运输
作用类型	通道阻滞剂
作用机制	CFTR 通道阻断剂
产品介绍	A cell-permeable glycinyl hydrazone compound that acts as a potent, selective and reversible open-channel blocker of CFTR with intermediate speed (<1 min; 95% inhibition at 50 µM; Ki = 4.3 µM in CFTR-expressing FRT cells for apical membrane Cl- current) and exhibits desirable aqueous solubility. Shown to produce inwardly rectifying CFTR Cl- currents with reduced mean channel open time and suggested to directly interact with the channel pore at the extracellular side of the membrane. Displays minimal effects on P-glycoprotein and non-CFTR-mediated Cl- currents, and is effective in nasal and intestinal epithelia in vivo. Also available as a 25 mM solution in DMSO . A cell-permeable glycinyl hydrazone compound that acts as a potent, selective and reversible open-channel blocker of CFTR with intermediate speed (<1 min; 95% inhibition at 50 µM; Ki = 4.3 µM in CFTR-expressing FRT cells for apical membrane Cl- current) and exhibits desirable aqueous solubility. Shown to produce inwardly rectifying CFTR Cl- currents with reduced mean channel open time and suggested to directly interact with the channel pore at the extracellular side of the membrane. Displays minimal effects on P-glycoprotein and non-CFTR-mediated Cl- currents, and is effective in nasal and intestinal epithelia in vivo.

关联靶点（人）

CFTR Tclin 囊性纤维化跨膜传导调节器(Cystic fibrosis transmembrane conductance regulator) (1 活性数据)

点击查看靶蛋白信息： CFTR

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

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
IUPAC Name	N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
INCHI	InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,26-27H,10H2,(H,24,25)/b23-9+
InChi Key	RMBDLOATEPYBSI-NUGSKGIGSA-N
Canonical SMILES	C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN=CC3=CC(=C(C(=C3O)Br)O)Br
Isomeric SMILES	C1=CC=C2C=C(C=CC2=C1)NCC(=O)N/N=C/C3=CC(=C(C(=C3O)Br)O)Br
分子量	493.15
Reaxy-Rn	19522958
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19522958&ln=

化学和物理性质

敏感性	对光线、湿度敏感
分子量	493.100 g/mol
XLogP3	4.800
氢键供体数Hydrogen Bond Donor Count	4
氢键受体数Hydrogen Bond Acceptor Count	5
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	492.946 Da
单同位素质量Monoisotopic Mass	490.948 Da
拓扑极表面积Topological Polar Surface Area	94.000 Å²
重原子数Heavy Atom Count	27
形式电荷Formal Charge	0
复杂度Complexity	536.000
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	1
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	1
共价键合单元计数Covalently-Bonded Unit Count	1