计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
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
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
SCH-1473759 hydrochloride is an aurora inhibitor with IC 50 s of 4 and 13 nM for aurora A and B, respectively.
In Vitro
SCH-1473759 directly binds to aurora A and B with K d s of 20 and 30 nM, respectively. SCH-1473759 also inhibits the Src family of kinases (IC 50 <10 nM), Chk1 (IC 50 =13 nM), VEGFR2 (IC 50 =1 nM), and IRAK4 (IC 50 =37 nM). It does not have significant activity (IC 50 >1000 nM) against 34 other kinases representing different families of the kinome. SCH-1473759 inhibits HCT116 cells proliferation with an IC 50 of 6 nM. SCH 1473759 inhibits tumor cell lines from different tissues (breast, ovarian, prostate, lung, colon, brain, gastric, renal, skin, and leukemia). The most sensitive cell lines includ A2780, LNCap, N87, Molt4, K562, and CCRF-CEM with IC 50 values <5 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
SCH-1473759 at a low dose of 5 mg/kg (ip, bid) is well-tolerated in a continuous dosing schedule and shows 50% tumor growth inhibition(TGI) on day 16. A higher dose of 10mg/kg(ip, bid) is well-tolerated in an intermittent schedule (5 days on, 5 days off) and gave 69% TGI on day 16. SCH-1473759 shows good exposure in all species with the clearance being high in rodents and moderate in dog and monkey. The half-life is also moderate, but the tissue distribution is high . SCH 1473759 dose- and schedule-dependent anti-tumor activity in four human tumor xenograft models. Further, the efficacy is enhanced in combination with taxanes and found to be most efficacious when SCH 1473759 is dosed 12-h post-taxane treatment. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
Mice: Anti-tumor efficacy of SCH 1473759 dosed i.p. is evaluated in mice bearing established A2780 ovarian tumor xenografts. Three schedules are tested at their respective maximum tolerated doses: 10 mg/kg bid (twice daily), 20 mg/kg qd (daily), and 100 mg/kg day 0, 4, 7. Additionally, 60 mg/kg day 0, 4, 7 is tested . aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Aurora A 4 nM (IC 50 ) Aurora B 13 nM (IC 50 )
规格
别名
SCH-1473759 盐酸盐
规格或纯度
≥99%
英文名称
SCH-1473759 hydrochloride
生化机理
SCH-1473759 盐酸盐是一种极光抑制剂，对极光 A 和极光 B 的 IC 50 s 分别为 4 和 13 nM。
储存条件
2-8°C储存,干燥
运输条件
低温运输
纯度
≥99%
名称和识别符
分子类型
小分子
IUPAC Name
2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride
INCHI
1S/C20H26N8OS.ClH/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18;/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);1H
InChi Key
YBAZMWNWFHDNTH-UHFFFAOYSA-N
Smiles
CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO.Cl
Isomeric SMILES
CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO.Cl
PubChem CID
分子量
463.00
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) | 咪唑并吡嗪类 |
| 亚类（Subclass） | 暂无 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 咪唑并吡嗪类 |
| 其他上位类（Alternative Parents） | 芳烷基胺 氨基吡嗪类 N-取代咪唑 咪唑内酰胺类 氨基噻唑 吡唑类 杂芳族化合物 三烷基胺 1,2-氨基醇 氮杂环化合物 伯醇 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） | 1,2-氨基醇 - 1,2-噻唑胺 - 羟基苯甲酸酯 - 氨基酸 - 氨基吡嗪 - 芳烷基胺 - 芳香族杂多环化合物 - 氮杂环 - 吡唑 - 杂芳香族化合物 - 烃衍生物 - 氟氯烃 - 咪唑 - 咪唑吡嗪 - 咪唑内酰胺 - N-取代咪唑 - 有机硝基化合物 - 有机氧化合物 - 有机氮化合物 - 有机氧化合物 - 初级醇 - 吡嗪 - 吡唑 - 三元脂肪胺 - 三芳基胺 - 噻唑 |
| 描述（Description） | 该化合物属于咪唑吡嗪类有机化合物。这类化合物为含吡嗪环与咪唑环并联的有机杂多环化合物，亦包含咪唑吡嗪结构单元的氢化衍生物。咪唑为五元环结构，由三个碳原子及位于1位和3位的两个氮原子中心构成。吡嗪为六元环结构，由六个碳原子及位于环1位和4位的两个氮原子中心构成。 |
| 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（人）
IRAK4
Tchem
白细胞介素-1受体相关激酶4(Interleukin-1 receptor-associated kinase 4)
(1 活性数据)
FLT3
Tclin
受体型酪氨酸蛋白激酶 FLT3(Receptor-type tyrosine-protein kinase FLT3)
(1 活性数据)
AURKB
Tchem
极光激酶B(Aurora kinase B)
(1 活性数据)
CHEK1
Tchem
丝氨酸/苏氨酸蛋白激酶 Chk1(Serine/threonine-protein kinase Chk1)
(1 活性数据)
EGFR
Tclin
Epidermal growth factor receptor erbB1
(33727 活性数据)
IGF1R
Tclin
Insulin-like growth factor I receptor
(8605 活性数据)
LCK
Tclin
Tyrosine-protein kinase LCK
(9212 活性数据)
STK3
Tchem
Serine/threonine-protein kinase MST2
(3069 活性数据)
CSNK1D
Tchem
Casein kinase I delta
(4546 活性数据)
IKBKB
Tchem
Inhibitor of nuclear factor kappa B kinase beta subunit
(5554 活性数据)
AURKB
Tchem
Serine/threonine-protein kinase Aurora-B
(6805 活性数据)
JAK2
Tclin
Tyrosine-protein kinase JAK2
(12915 活性数据)
CAMK4
Tbio
CaM kinase IV
(2116 活性数据)
KDR
Tclin
Vascular endothelial growth factor receptor 2
(20924 活性数据)
ROCK2
Tclin
Rho-associated protein kinase 2
(6206 活性数据)
MET
Tclin
Hepatocyte growth factor receptor
(10718 活性数据)
PRKCA
Tchem
Protein kinase C alpha
(5923 活性数据)
CDK2
Tchem
Cyclin-dependent kinase 2
(9050 活性数据)
AKT1
Tchem
Serine/threonine-protein kinase AKT
(9192 活性数据)
FLT3
Tclin
Tyrosine-protein kinase receptor FLT3
(13481 活性数据)
RPS6KA3
Tchem
Ribosomal protein S6 kinase alpha 3
(4284 活性数据)
CHEK1
Tchem
Serine/threonine-protein kinase Chk1
(6846 活性数据)
IRAK4
Tchem
Interleukin-1 receptor-associated kinase 4
(5917 活性数据)
AURKA
Tchem
Serine/threonine-protein kinase Aurora-A
(10240 活性数据)
NEK2
Tchem
Serine/threonine-protein kinase NEK2
(3514 活性数据)
HepG2
(196354 活性数据)
EPHB4
Tchem
Ephrin type-B receptor 4
(3198 活性数据)
PLK3
Tchem
Serine/threonine-protein kinase PLK3
(1916 活性数据)
关联靶点（其它种属）
Mapk1
MAP kinase ERK2 (650 活性数据)
Rattus norvegicus (775804 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 : 8.33 mg/mL (17.99 mM; ultrasonic and warming and heat to 60°C) DMSO : 7.14 mg/mL (15.42 mM; ultrasonic and warming and heat to 60°C)
分子量
463.000 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
4
氢键受体数Hydrogen Bond Acceptor Count
8
可旋转键计数Rotatable Bond Count
8
精确质量Exact Mass
462.172 Da
单同位素质量Monoisotopic Mass
462.172 Da
拓扑极表面积Topological Polar Surface Area
136.000 Ų
重原子数Heavy Atom Count
31
形式电荷Formal Charge
0
复杂度Complexity
569.000
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
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