计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
概述
GDC-0310 is a selective acyl-sulfonamide Na v 1.7 inhibitor, with an IC 50 of 0.6 nM for hNa v 1.7
In Vitro
GDC-0310 exhibits an EC 50 of 1.1 μM in vivo and a K i of 1.8 nM for Na v 1.7. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
GDC-0310 shows substantially improved Na v selectivity and ADME properties . GDC-0310 exhibits t1/2 values of 5 h, 46 h and 4.4 h in rat (5 mg/kg, iv), dog (1 mg/kg, iv) and cynomolgus monkeys (2 mg/kg, iv), respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:hNa v 1.4 3.4 nM (IC 50 ) hNa v 1.2 38 nM (IC 50 ) hNa v 1.6 198 nM (IC 50 ) hNa v 1.1 202 nM (IC 50 ) hNa v 1.5 551 nM (IC 50 ) Na v 1.7 0.6 nM (IC 50 )
规格
规格或纯度
≥99%
英文名称
GDC-0310
生化机理
GDC-0310 是一种选择性酰基磺酰胺 Na v 1.7 抑制剂，对 hNa v 1.7 的 IC 50 为 0.6 nM。
储存条件
-20°C储存
运输条件
超低温运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
分子类型
未知
Isomeric SMILES
C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F
PubChem CID
分子量
543.48
高级数据
关联靶点（人）
SCN1A
Tclin
Sodium channel protein type I alpha subunit
(483 活性数据)
SCN5A
Tclin
Sodium channel protein type V alpha subunit
(3462 活性数据)
CYP3A4
Tclin
Cytochrome P450 3A4
(53859 活性数据)
SCN7A
Tclin
Sodium channel protein type VII alpha subunit
(136 活性数据)
SCN1A
Tclin
Sodium channel protein type 1 subunit alpha/beta-1/beta-2
(42 活性数据)
SCN5A
Tclin
Sodium channel protein type 5 subunit alpha/beta-1/beta-2
(42 活性数据)
关联靶点（其它种属）
Scn2a
Sodium channel protein type II alpha subunit (191 活性数据)
Scn8a
Sodium channel protein type VIII alpha subunit (53 活性数据)
Scn4a
Sodium channel protein type IV alpha subunit (55 活性数据)
Mus musculus (284745 活性数据)
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 |
|---|
化学和物理性质
溶解性
DMSO : 4 mg/mL (7.36 mM; ultrasonic and warming and heat to 60°C)
分子量
543.500 g/mol
XLogP3
5.700
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
6
可旋转键计数Rotatable Bond Count
8
精确质量Exact Mass
542.121 Da
单同位素质量Monoisotopic Mass
542.121 Da
拓扑极表面积Topological Polar Surface Area
84.100 Ų
重原子数Heavy Atom Count
35
形式电荷Formal Charge
0
复杂度Complexity
822.000
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
1
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):
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溶液计算器
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