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 |
|---|
为什么选择此级别
提供 ≥98% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,干燥。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
SAR407899 hydrochloride is a selective, potent and ATP-competitive ROCK inhibitor, with an IC 50 of 135 nM for ROCK-2 , and K i s of 36 nM and 41 nM for human and rat ROCK-2 , respectively.
In Vitro
SAR407899 hydrochloride is a potent and ATP-competitive ROCK inhibitor, with K i s of 36 nM and 41 nM for human and rat ROCK-2, respectively. SAR407899 inhibits ROCK-2 better than ROCK-1, with IC 50 s of 102±19 nM and 276±26 nM, respectively, in the presence of 40 μM ATP. SAR407899 also less potently inhibits PKC-Δ and MSK-1, with IC 50 s of 5.4 and 3.1 μM, respectively. SAR407899 (0.1, 0.3, 1.0, and 3.0 μM) specifically inhibits the ROCK-mediated phosphorylation of MYPT T696 in HeLa cells stimulated with PHEN, and shows such effects at 1 μM and 10 μM in primary rat aortic smooth muscle cells. SAR407899 (3 μM) completely blocks thrombin-induced shrinkage of human umbilical vein endothelial cells (HUVECs) and stress fiber formation. SAR407899 concentration-dependently inhibits 5-bromodeoxyuridine incorporation into the cells with an IC 50 of 5.0±1.3 μM. SAR407899 also effectively inhibits THP-1 migration with an IC 50 of 2.5±1.0 μM. SAR407899 shows a potent vasorelaxant activity in a broad variety of isolated arteries taken from different vascular beds and species, with a range of IC 50 values between 122 and 280 nM. SAR407899 dose-dependently relaxes the phenylephrine pre-contracted smooth muscle, with IC 50 s of 0.07 and 0.05 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
SAR407899 (3 mg/kg, i.v.) inhibits ROCK-mediated phosphorylation of MYPT T696 in thoracic aorta of spontaneously hypertensive rats (SHRs). SAR407899 (0.01-0.30 mg/kg, i.v.) efficiently reduces pressor responses to vasoconstrictor agents in rats. SAR407899 (1, 3, 10, and 30 mg/kg, p.o.) dose dependently lowers blood pressure in hypertensive SHRs . SAR407899 (1-3 mg/kg, i.v. or 3, 10 mg/kg, p.o.) increases the length of the penis in healthy rabbits. SAR407899 (3-10 mg/kg, p.o.) also dose-dependently increases penile length in diabetic rabbits. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
Rabbits are treated either intravenously (i.v., in an ear vein) with increasing doses of SAR407899 (0.3, 1, 3, 10 mg/kg) or orally with SAR407899 (1, 3, 10, 30 mg/kg) or sildenafil (2 or 6 mg/kg). Each animal is used several times for different doses and different agents, always with a week's washout. The length (mm) of uncovered penile mucosa (penile erection parameter) is measured at different time-points, using a sliding digital caliper. The results are expressed as mean ± SEM penile length of 3-5 rabbits . aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:ROCK-2 102 nM (IC 50 ) ROCK-1 276 nM (IC 50 )
规格
别名
SAR407899盐酸盐
英文别名
923262-96-8 | MS-23990 | SAR-407899 HCl | 1(2H)-Isoquinolinone, 6-(4-piperidinyloxy)-, hydrochloride (1:1) | MFCD20485429 | SAR407899 (hydrochloride) | 6-(piperidin-4-yloxy)-2h-isoquinolin-1-one-hydrochloride | BCP13153 | UNII-AD9C9XVB9T | HY-15687 | 6-(p
规格或纯度
≥98%
英文名称
SAR407899 hydrochloride
生化机理
SAR407899 盐酸盐是一种选择性、强效和 ATP 竞争性 ROCK 抑制剂，对 ROCK-2 的 IC 50 为 135 nM，对人类和大鼠 ROCK-2 的 K i s 分别为 36 nM 和 41 nM。
储存条件
2-8°C储存,干燥
运输条件
低温运输
作用类型
抑制剂
作用机制
Rho- 相关蛋白激酶抑制剂
纯度
≥98%
名称和识别符
分子类型
小分子
IUPAC Name
6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride
INCHI
1S/C14H16N2O2.ClH/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H
InChi Key
KMNVOGVCCZNVNU-UHFFFAOYSA-N
Smiles
C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3.Cl
Isomeric SMILES
C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3.Cl
PubChem CID
分子量
280.75
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机杂环化合物 |
| 类（Class) | 异喹啉及其衍生物 |
| 亚类（Subclass） | 异喹诺酮及其衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 异喹诺酮及其衍生物 |
| 其他上位类（Alternative Parents） | 吡啶酮类 烷基芳基醚 哌啶类 苯类化合物 杂芳族化合物 内酰胺类 二烷基胺 氮杂环化合物 有机光子化合物 有机氧化物 盐酸盐 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 芳基醚 - 氨基酸 - 芳香族杂多环化合物 - 氮杂环 - 苯基化合物 - 乙醚 - 杂芳香族化合物 - 烃衍生物 - 氟氯烃 - 异喹啉酮 - 肟 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机氮化合物 - 有机氧化合物 - 有机氮化合物 - 哌嗪 - 吡啶 - 吡啶酮 - 二级脂肪胺 - 醛基 |
| 描述（Description） | 该化合物属于异喹啉酮及其衍生物类有机化合物。这类芳香多环化合物含有含异喹啉基团的酮结构单元。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
关联靶点（其它种属）
rep
Replicase polyprotein 1ab (378 活性数据)
SARS-CoV-2 (38078 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
H2O : 50 mg/mL (178.09 mM; Need ultrasonic) DMSO : 25 mg/mL (89.05 mM; Need ultrasonic)
分子量
280.750 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
3
氢键受体数Hydrogen Bond Acceptor Count
3
可旋转键计数Rotatable Bond Count
2
精确质量Exact Mass
280.098 Da
单同位素质量Monoisotopic Mass
280.098 Da
拓扑极表面积Topological Polar Surface Area
50.400 Ų
重原子数Heavy Atom Count
19
形式电荷Formal Charge
0
复杂度Complexity
337.000
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
2
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
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
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