G2524358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 |
|---|
MRTX0902
有货
为什么选择此级别
Moligand™ 级 提供 ≥99% 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
-20°C储存。超低温运输 。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
MRTX0902 is an orally active and potent SOS1 inhibitor with an IC 50 of 46 nM (WO2021127429A1; Example 12-10)
In Vitro
MRTX0902 (compound 32) (1 μM; 0, 2, 4, 8, 15, and 30 minutes) shows a moderate Cl int value of 195 mL/min/kg in human liver microsome and a low lipophilicity with cLogP of 3.4. MRTX0902 displays high selectivity on SOS1 (K i =2 nM) over SOS2 and EGFR (both K i values >10,000 nM), MRTX0902 inhibits MKN1 cells with an IC 50 value of 29 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
MRTX0902 (compound 32) (25, 50 mg/kg; p.o.; twice daily; 25 d) shows anti-tumor effect in mouse model and results tumor regression . MRTX0902 (1-3 mg/kg for i.v. or 10-30 mg/kg for p.o.; single dose) exhibits good brain penetrance, low clearance, and high bioavailability . PK Parameters for MRTX0902 across Species Parameter Route Dose (mg/kg) Cl (mL/min/kg) V d,ss (L/kg) T 1/2 (iv) (h) F (%) Mouse IV/PO 3/30 4.4 0.28 1.3 69 Rat IV/PO 1/10 14.6 0.28 0.62 83 Dog IV/PO 2/10 7.6 0.48 0.86 38 MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female CD-1 mice Dosage: 50 mg/kg Administration: Oral gavage; twice daily; 1 day Result: Resulted free drug exposure in the brain as well as the efflux ratio in the Caco-2 assay (ER = 1.5). Showed short half-life of the compound in mice (T 1/2 = 1.3 h). Animal Model: MIA PaCa-2 xenograft model in mouse Dosage: 25 mg/kg; 50 mg/kg Administration: Oral gavage; twice daily; 25 days Result: Reduced tumor growth by 41% and 53% at 25 mg/kg and 50 mg/kg administration.
Form:Solid
IC50& Target:KRAS-SOS1 46 nM (IC 50 )
规格
别名
(R)-2-甲基-3-(1-((4-甲基-7-吗啉并[3,4-d]哒嗪-1-基)氨基)乙基)苯甲腈
英文别名
UNII-CRG69FR93G | (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido[3,4-d]pyridazin-1-yl)amino)ethyl)benzonitrile
规格或纯度
Moligand™, ≥99%
英文名称
MRTX0902
生化机理
MRTX0902 是一种有效的 SOS1 的抑制剂，IC50 为 46 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
技术文档
高级数据
关联靶点（人）
EGFR
Tclin
Epidermal growth factor receptor erbB1
(33727 活性数据)
MIA PaCa-2
(5949 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 : 12.5 mg/mL (32.18 mM; ultrasonic and warming and heat to 60°C)
分子量
388.500 g/mol
XLogP3
2.800
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
7
可旋转键计数Rotatable Bond Count
4
精确质量Exact Mass
388.201 Da
单同位素质量Monoisotopic Mass
388.201 Da
拓扑极表面积Topological Polar Surface Area
87.000 Ų
重原子数Heavy Atom Count
29
形式电荷Formal Charge
0
复杂度Complexity
587.000
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)
技术文档和文章
溶液计算器
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