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
-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
ARN-21934 is a potent, highly selective, blood-brain barrier (BBB) penetrant inhibitor for human topoisomerase II α over β. ARN-21934 inhibits DNA relaxation with an IC 50 of 2 μM as compared to the anticancer agent Etoposide (IC 50 =120 μM). ARN-21934 exhibits a favorable in vivo pharmacokinetic profile and is a promising lead compound for anticancer research
In Vitro
ARN-21934 display a different affinity for topoIIα and topoIIβ. ARN-21934 is more potent against the α isoform, the IC 50 value for the inhibition of DNA relaxation by topoIIα is 2 μM, the value for inhibition of DNA relaxation by topoIIβ is 120 μM. ARN-21934 exhibits a small panel of human cancer cell lines. It against melanoma (A375 and G-361), breast (MCF7), endometrial (HeLa), lung (A549), and androgen-independent prostate (DU145) cancer cells with IC 50 values of 12.6 μM, 8.1 μM, 15.8 μM, 38.2 μM, 17.1 μM, and 11.5 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
ARN-21934 (intraperitoneal injection; 10 mg/kg; single dose) reaches a maximal plasma concentration of 0.68 μg/mL after 15 min. The half-life is 149 min in circulation, still being present in plasma 360 min after injection. The compound also exhibits good clearance values (0.116 L/(min kg)). Besides, ARN-21934 is able to reach the brain, with a maximum concentration of compound at 60 min, and is still present in the brain 360 min after injection MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:topoisomerase II alpha topoisomerase II beta
规格
规格或纯度
≥98%
英文名称
ARN-21934
生化机理
ARN-21934 是一种强效、高选择性、血脑屏障 (BBB) 穿透性抑制剂，可抑制人类拓扑异构酶 II α 和 β。ARN-21934还能
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
≥98%
名称和识别符
分子类型
未知
IUPAC Name
4-N-[4-(dimethylamino)phenyl]-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazoline-4,6-diamine
INCHI
1S/C21H24N6/c1-27(2)17-6-4-16(5-7-17)24-21-18-13-15(22)3-8-19(18)25-20(26-21)14-9-11-23-12-10-14/h4-7,9-12,15H,3,8,13,22H2,1-2H3,(H,24,25,26)
InChi Key
CKXSRLUXTFDZCF-UHFFFAOYSA-N
Smiles
CN(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2CC(CC3)N)C4=CC=NC=C4
Isomeric SMILES
CN(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2CC(CC3)N)C4=CC=NC=C4
PubChem CID
分子量
360.46
技术文档
高级数据
三维结构
交互式化学结构模型
关联靶点（人）
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
INSR
Tclin
Insulin receptor
(5558 活性数据)
ADRB2
Tclin
Beta-2 adrenergic receptor
(11824 活性数据)
CHRM2
Tclin
Muscarinic acetylcholine receptor M2
(10671 活性数据)
ADRB1
Tclin
Beta-1 adrenergic receptor
(6630 活性数据)
HTR1A
Tclin
Serotonin 1a (5-HT1a) receptor
(14969 活性数据)
ADRA2A
Tclin
Alpha-2a adrenergic receptor
(9450 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1
(12690 活性数据)
TOP2A
Tclin
DNA topoisomerase II alpha
(6317 活性数据)
DRD2
Tclin
Dopamine D2 receptor
(23596 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
CNR1
Tclin
Cannabinoid CB1 receptor
(20913 活性数据)
DRD1
Tclin
Dopamine D1 receptor
(9720 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
PTGS1
Tclin
Cyclooxygenase-1
(9233 活性数据)
SLC6A2
Tclin
Norepinephrine transporter
(10102 活性数据)
HRH2
Tclin
Histamine H2 receptor
(5428 活性数据)
HTR1B
Tclin
Serotonin 1b (5-HT1b) receptor
(2801 活性数据)
HTR2A
Tclin
Serotonin 2a (5-HT2a) receptor
(14758 活性数据)
SLC6A4
Tclin
Serotonin transporter
(12625 活性数据)
ADRA1A
Tclin
Alpha-1a adrenergic receptor
(8359 活性数据)
PTGS2
Tclin
Cyclooxygenase-2
(13999 活性数据)
HRH1
Tclin
Histamine H1 receptor
(7573 活性数据)
OPRM1
Tclin
Mu opioid receptor
(19785 活性数据)
AVPR1A
Tclin
Vasopressin V1a receptor
(5412 活性数据)
OPRD1
Tclin
Delta opioid receptor
(15096 活性数据)
OPRK1
Tclin
Kappa opioid receptor
(16155 活性数据)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
CACNA1C
Tclin
Voltage-gated L-type calcium channel alpha-1C subunit
(766 活性数据)
PDE3A
Tclin
Phosphodiesterase 3A
(3309 活性数据)
CHRM3
Tclin
Muscarinic acetylcholine receptor M3
(7750 活性数据)
HTR2B
Tclin
Serotonin 2b (5-HT2b) receptor
(10323 活性数据)
EDNRA
Tclin
Endothelin receptor ET-A
(5008 活性数据)
ADORA2A
Tclin
Adenosine A2a receptor
(16305 活性数据)
CNR2
Tchem
Cannabinoid CB2 receptor
(16942 活性数据)
LCK
Tclin
Tyrosine-protein kinase LCK
(9212 活性数据)
ROCK1
Tclin
Rho-associated protein kinase 1
(4723 活性数据)
KDR
Tclin
Vascular endothelial growth factor receptor 2
(20924 活性数据)
SCN5A
Tclin
Sodium channel protein type V alpha subunit
(3462 活性数据)
TOP2B
Tclin
DNA topoisomerase II beta
(959 活性数据)
A-375
(9258 活性数据)
DU-145
(51482 活性数据)
G-361
(890 活性数据)
MCF7
(126967 活性数据)
A549
(127892 活性数据)
HeLa
(62764 活性数据)
CHRNB2
Tclin
Neuronal acetylcholine receptor; alpha4/beta2
(3972 活性数据)
KCNQ1
Tclin
Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)
(185 活性数据)
关联靶点（其它种属）
Cckar
Cholecystokinin A receptor (90 活性数据)
Pde4d
Phosphodiesterase 4D (4 活性数据)
Gabrg2
GABA-A receptor; alpha-1/beta-2/gamma-2 (554 活性数据)
Chrna3
Nicotinic acetylcholine receptor alpha6/alpha3/beta4 (315 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 : 8.33 mg/mL (23.11 mM; ultrasonic and warming and heat to 80°C)
分子量
360.500 g/mol
XLogP3
2.600
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
6
可旋转键计数Rotatable Bond Count
4
精确质量Exact Mass
360.206 Da
单同位素质量Monoisotopic Mass
360.206 Da
拓扑极表面积Topological Polar Surface Area
80.000 Ų
重原子数Heavy Atom Count
27
形式电荷Formal Charge
0
复杂度Complexity
458.000
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
1
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
常见问题
本产品的纯度是多少？
本产品的化学纯度（含量）为 ≥98%。批次的具体数值以分析证书（COA）为准。
本产品应如何储存？
请于?20 °C条件下保存。需冷冻保存以维持规定的有效期。
本产品如何运输？
本产品采用保温箱配冰袋运输。收货后请立即拆包，并按上述储存条件保存。
本产品的 CAS 号、分子式和分子量是多少？
本产品的 CAS 号为 2230854-93-8，分子式为 C21H24N6，分子量为 360.46 g/mol。InChIKey CKXSRLUXTFDZCF-UHFFFAOYSA-N。
如何获取批次专用COA？
每个订单都会随附分析证书（COA），您也可以从账户订单历史中下载。如需订购前的COA，请联系您的客户代表，或使用PDP上的"申请COA"按钮——我们将提供代表性批次的COA。
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