计算溶液所需的质量、体积或浓度。
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
CC-115 hydrochloride is a potent and dual DNA-PK and mTOR kinase inhibitor with IC 50 s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling.
In Vitro
CC-115 inhibits PC-3 cells proliferation with an IC 50 of 138 nM. In a kinase selectivity assessment against a panel of 250 protein kinases at 3 μM, only one kinase other than mTOR kinase is identified with more than 50% inhibition (cFMS 57%, IC 50 =2.0 μM). Of the PI3K related kinases (PIKKs) tested, CC-115 proves to be equipotent against DNA PK (IC 50 =15 nM) and demonstrates 40 to >1000 fold selectivity against the remaining PIKKs tested; PI3K-alpha (IC 50 =0.85 μM), ATR (50% inhibition at 30 μM) and ATM (IC 50 >30 μM). The IC 50 values for CC-115 are >10 μM against a panel of CYP enzymes and >33 μM for the hERG (human ether-a-go-go-related gene) ion channel. When screened in a single point assay at 10 μM against a Cerep receptor and enzyme panel only one target is inhibited >50% (PDE3, IC 50 =0.63 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CC-115 hydrochloride shows good in vivo PK profiles across multiple species with 53%, 76% and ~100% oral bioavailability in mouse, rat and dog, respectively. CC-115 is tested at lower doses of 0.25, 0.5 and 1 mg/kg bid or 1 mg/kg qd, with observed corresponding tumor volume reductions of 46%, 57%, 66% and 57% respectively. CC-115 sustains inhibition though 24 hours. At the 1 mg/kg dose CC-115 shows significant inhibition at 1 and 3 hours, CC-115 demonstrating inhibition through 10 hours. CC-115 is evaluated using both once (qd) and twice (bid) daily dosing schedules . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:DNA-PK 13 nM (IC 50 ) mTOR 21 nM (IC 50 ) mTORC1 mTORC2 PI3Kα 852 nM (IC 50 )
规格
别名
CC-115盐酸盐
规格或纯度
≥98%
英文名称
CC-115 hydrochloride
生化机理
CC-115 盐酸盐是一种强效的 DNA-PK 和 mTOR 激酶双重抑制剂，其 IC 50 s 分别为 13 nM 和 21 nM。CC-115 可同时阻断 mTORC1 和 mTORC2 信号传导。
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
纯度
≥98%
名称和识别符
分子类型
小分子
Isomeric SMILES
CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C.Cl
PubChem CID
分子量
372.81
技术文档
高级数据
化学和物理性质
溶解性
H2O : 50 mg/mL (134.12 mM; Need ultrasonic) DMSO : ≥ 30 mg/mL (80.47 mM)
分子量
372.800 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
3
氢键受体数Hydrogen Bond Acceptor Count
7
可旋转键计数Rotatable Bond Count
3
精确质量Exact Mass
372.121 Da
单同位素质量Monoisotopic Mass
372.121 Da
拓扑极表面积Topological Polar Surface Area
113.000 Ų
重原子数Heavy Atom Count
26
形式电荷Formal Charge
0
复杂度Complexity
491.000
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
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