计算溶液所需的质量、体积或浓度。
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
Buparlisib Hydrochloride (BKM120 Hydrochloride) is a pan-class I PI3K inhibitor, with IC 50 of 52 nM/166 nM/116 nM/262 nM for p110α / p110β / p110δ / p110γ , respectively.
In Vitro
Buparlisib (BKM120) exhibits 50-300 nM activity for class I PI3K’s, including the most common p110α mutants. Additionally, NVP-BKM120 exhibits lower potency against class III and class IV PI3K's, where 2, 5, >5, and >25 μM biochemical activity is observed for inhibition of VPS34, mTOR, DNAPK, and PI4K, respectively. Buparlisib (BKM120) induces multiple myeloma (MM) cell apoptosis in both dose- and time-dependent manners. Buparlisib (BKM120) at concentrations ≥10 μM induces significant apoptosis in all tested MM cell lines at 24 h (P<0.05, compares with control). Therefore, 10 μM Buparlisib (BKM120) and 24-h treatment are chose in in the following experiments if not stated otherwise. Buparlisib (BKM120) treatment results in a dose-dependent growth inhibition in all tested MM cell lines. Buparlisib (BKM120) IC 50 varies among tested MM cells. At 24 h treatment, IC 50 for ARP-1, ARK, and MM.1R is between 1 and 10 μM, while IC 50 for MM.1S is <1 μM, and IC 50 for U266 is between 10 and 100 μM. In summary, Buparlisib (BKM120) treatment results in MM cell growth inhibition and apoptosis in dose- and time-dependent manners. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
In A2780 xenograft tumors, oral dosing of Buparlisib (BKM120) at 3, 10, 30, 60, and 100 mg/kg results in a dose dependent modulation of pAKT Ser473 . Partial inhibition of pAKT Ser473 is observed at 3 and 10 mg/kg, and near complete inhibition is observed at doses of 30, 60, or 100 mg/kg, respectively. Inhibition of pAKT (normalized to total AKT) tracked well with both plasma and tumor drug exposure . Mice receiving Buparlisib (BKM120) (5 μM per kg per day for 15 days) treatment has significantly smaller tumor burdens as compare with control mice, which are measured as tumor volume (P<0.05) and level of circulating human kappa chain (P<0.05). In addition, Buparlisib (BKM120) treatment significantly prolongs the survival of tumor-bearing mice (P<0.05). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
Mice Six- to eight-week-old female severe combined immunodeficiency (SCID) mice are used. SCID mice are subcutaneously inoculated in the right flank with 1 million ARP-1 or MM.1S cells suspended in 50 μL phosphate-buffered saline (PBS). After palpable tumor developed (tumor diameter ≥5 mm), mice are treated with intraperitoneal injection of DMSO/PBS or Buparlisib (BKM120) (5 μM per kg per day) for 15 days. Tumor sizes are measured every 5 days, and blood samples are collected at the same period. Tumor burdens are evaluated by measuring tumor size and detecting circulating human kappa chain or lambda chain. aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:p110α 52 nM (IC 50 ) p110α-H1047R 58 nM (IC 50 ) p110α-E545K 99 nM (IC 50 ) p110δ 116 nM (IC 50 ) p110β 166 nM (IC 50 ) p110γ 262 nM (IC 50 ) Vps34 2.4 μM (IC 50 ) mTOR 4.6 μM (IC 50 )
规格
别名
盐酸布帕利西布
英文别名
NVP-BKM120 Hydrochloride | 6-Methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile # | NVP-BKM120 (Hydrochloride) | DTXSID50156980 | HY-15180 | 2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-, hydrochloride (1:1) | 5-(2,6-Di-4-morpho
规格或纯度
≥99%
英文名称
Buparlisib Hydrochloride
生化机理
Buparlisib Hydrochloride（BKM120 Hydrochloride）是一种泛 I 类 PI3K 抑制剂，对 p110α / p110β / p110δ / p110γ 的 IC 50 分别为 52 nM/166 nM/116 nM/262 nM。
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
≥99%
名称和识别符
EC号
806-592-4
分子类型
小分子
IUPAC Name
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
INCHI
1S/C18H21F3N6O2.ClH/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h9-11H,1-8H2,(H2,22,23);1H
InChi Key
DGPLYAXBXJXEID-UHFFFAOYSA-N
Smiles
C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4.Cl
Isomeric SMILES
C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4.Cl
关联CAS
PubChem CID
分子量
446.85
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) | 二嗪类 |
| 亚类（Subclass） | 嘧啶和嘧啶衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 吡啶基嘧啶 |
| 其他上位类（Alternative Parents） | 二烷基芳胺 氨基嘧啶及其衍生物 氨基吡啶及其衍生物 吗啉 咪唑内酰胺类 杂芳族化合物 氧环化合物 二烷基醚 氮杂环化合物 伯胺 有机氟化物 盐酸盐 碳氢化合物衍生物 烷基氟化物 |
| 分子骨架（Molecular Framework) | 芳香族杂单环化合物 |
| 取代基（Substituents） | 氟化烷基 - 烷基溴化物 - 氨基酸 - 氨基吡啶 - 氨基吡啶 - 芳香族杂单环化合物 - 氮杂环 - 二烷基醚 - 二烷基芳基胺 - 乙醚 - 杂芳香族化合物 - 烃衍生物 - 氟氯烃 - 咪唑内酰胺 - Morpholine - 有机硝基化合物 - 有机氧化合物 - 有机氟化物 - 有机卤化物 - 有机氮化合物 - 有机氧化合物 - 氧杂环 - 氧杂吡嗪烷 - 初级胺 - 吡啶 - 吡啶基嘧啶 - 三芳基胺 |
| 描述（Description） | 该化合物属于吡啶嘧啶类有机化合物。这类化合物具有吡啶嘧啶骨架，即吡啶通过键与嘧啶相连（非共环）。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
化学和物理性质
溶解性
DMSO : ≥ 50 mg/mL (111.89 mM)
分子量
446.900 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
11
可旋转键计数Rotatable Bond Count
3
精确质量Exact Mass
446.144 Da
单同位素质量Monoisotopic Mass
446.144 Da
拓扑极表面积Topological Polar Surface Area
89.600 Ų
重原子数Heavy Atom Count
30
形式电荷Formal Charge
0
复杂度Complexity
530.000
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
安全和危险性（GHS）
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
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
Copyright © 2023至今 上海阿拉丁生化科技股份有限公司 保留所有权利。
危险品化学品经营许可证（带存储）