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 ≥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
CC-90005 is a potent, selective and orally active inhibitor of protein kinase C-θ (PKC-θ) , with an IC 50 of 8 nM. CC-90005 shows selectivity for PKC-θ over PKC-δ (IC 50 =4440 nM). CC-90005 can inhibit T cell activation by inhibiting IL-2 expression
In Vitro
CC-90005 shows the exquisite selectivity of CC-90005, with IC 50 s for all other family members of >3 μM. CC-90005 is a moderate inhibitor of both CYP2C9 (IC 50 =8 μM) and CYP2C19 (IC 50 =5.9 μM) in human liver microsomes. CC-90005 inhibits IL-2 expression in LRS_WBC human PBMCs, with an IC 50 of 0.15 μM. CC-90005 (1-10 μM; 24 h) inhibits T cell proliferation in PBMCs by 51% at 1 μM and 88% at 3 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CC-90005 (3-30 mg/kg; p.o. twice daily for 4 days) significantly reduces the popliteal lymph node (PLN) size in a model of chronic T cell activation . CC-90005 (100 mg/kg; a single p.o.) significantly inhibits plasma and spleen IL-2 release by 51 and 54%, respectively . CC-90005 exhibits reasonable oral bioavailability (66 and 46%) and C max (1.18 and 1.2 μM) following oral administration (10 and 3 mg/kg) in rat and dog, respectively . CC-90005 exhibits the mean residence time (0.52 and 2.0 h), CL (69.1 and 20.5 mL/min/kg) and Vss (2.11 and 2.44 L/kg) following intravenous administration (2 and 1 mg/kg) in rat and dog, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: B6D2F1 mice (20 g) were injected with allogeneic spleen cells Dosage: 3, 10, 30 mg/kg Administration: P.o. twice daily for 4 days Result: Inhibited PLN size by 45 and 38% at doses of 10 and 30 mg/kg, respectively.
Form:Solid
IC50& Target:PKCθ 8 nM (IC 50 )
规格
规格或纯度
≥99%
英文名称
CC-90005
生化机理
CC-90005 是一种强效、选择性和口服活性的蛋白激酶 C-θ (PKC-θ) 抑制剂，其 IC 50 为 8 nM。CC-90005 对 PKC-θ 的选择性高于 PKC-δ（IC 50 =4440 nM）。CC-90005 可通过抑制 IL-2 的表达来抑制 T 细胞的活化。
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
CC1(C[C@@H](CC[C@@H]1O)NC2=NC(=NC=C2C#N)NCC3=CN=CN=C3OCC(C)(F)F)C
PubChem CID
分子量
447.48
技术文档
高级数据
关联靶点（人）
HRH1
Tclin
Histamine H1 receptor
(7573 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
PRKCQ
Tchem
Protein kinase C theta
(3319 活性数据)
CYP2C9
Tchem
Cytochrome P450 2C9
(32119 活性数据)
CYP2C19
Tchem
Cytochrome P450 2C19
(29246 活性数据)
T-cell line
(174 活性数据)
关联靶点（其它种属）
Prkcd
Protein kinase C delta (192 活性数据)
Mus musculus (284745 活性数据)
Prkcq
Protein kinase C theta type (6 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 : 62.5 mg/mL (139.67 mM; Need ultrasonic)
分子量
447.500 g/mol
XLogP3
3.700
氢键供体数Hydrogen Bond Donor Count
3
氢键受体数Hydrogen Bond Acceptor Count
11
可旋转键计数Rotatable Bond Count
8
精确质量Exact Mass
447.219 Da
单同位素质量Monoisotopic Mass
447.219 Da
拓扑极表面积Topological Polar Surface Area
129.000 Ų
重原子数Heavy Atom Count
32
形式电荷Formal Charge
0
复杂度Complexity
659.000
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
2
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):
输入批号以搜索分析图谱:
溶液计算器
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