VPS34抑制剂1（化合物19）

PI3K 抑制剂

COA

级别和纯度:

≥98%

CAS编号: 1383716-46-8
分子式: C₂₁H₂₅N₇O
分子量: 391.47
PubChem编号: 67983918

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货号 (SKU)	包装规格	是否现货
V414016-2mg	2mg	期货
V414016-5mg	5mg	期货
V414016-25mg	25mg	期货

查看相关系列

Autophagy (2848) PI3K (243) PI3K/Akt/mTOR (764)

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基本描述

英文别名	PIK-III analogue2-Propanol,1-[[4'-(cyclopropylmethyl)-2-(4-pyridinylamino)[4,5'-bipyrimidin]-2'-yl]amino]-2-methyl-
规格或纯度	≥98%
英文名称	VPS34 inhibitor 1 (Compound 19)
生化机理	VPS34 抑制剂 1（19 号化合物，PIK-III 类似物）是一种强效的 VPS34 选择性抑制剂，IC50 为 15 nM。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	Information VPS34 inhibitor 1 (Compound 19) VPS34 inhibitor 1 (Compound 19, PIK-III analogue) is a potent and selective inhibitor of VPS34 with an IC50 of 15 nM. Targets VPS34 (Cell-free assay) 15 nM In vitro Compound 19 is extraordinarily selective over other lipid and protein kinases. The ability of compound 19 to prevent the degradation of autophagy substrates p62, NCOA4, NBR1, NDP52, and FTH1 is similar to PIK-III. In addition, treatment of cells with compound 19 leads to an increase in the lipidated and nonlipidated forms of LC3 similar to previous reports using PIK-III. In vivo The pharmacokinetic profile of analogue 19 is determined in C57BL/6 mice. After oral administration at 10 mg/kg, the compound is rapidly absorbed and showed moderate mean systemic clearance (30 mL/min/kg, approximately 33% of hepatic blood flow), with good oral bioavailability (F% = 47). Based on these PK parameters and the cellular activity, compound 19 constitutes a suitable candidate for in vivo studies. Upon oral administration of compound 19 at 50 mg/kg twice a day (BID) for 7 days, LC3-II accumulates consistent with reduced autophagic capacity in time-dependent manner. It inhibits autophagy in vivo. Cell Research(from reference) Cell lines：U2OS cells Concentrations：0, 1, 5, 10 μM Incubation Time：24 h
纯度	≥98%

产品属性

ALogP	2.798
HBD Count	2
Rotatable Bond	8

关联靶点（人）

PIK3C3 Tchem 磷脂酰肌醇3-激酶催化亚基3型(Phosphatidylinositol 3-kinase catalytic subunit type 3) (2 活性数据)

点击查看靶蛋白信息： PIK3C3

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

PIK3CD Tclin PI3-kinase p110-delta subunit (6699 活性数据)

点击查看靶蛋白信息： PIK3CD

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RKO (1376 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

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

名称和识别符

分子类型	小分子
IIUPAC Name	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
INCHI	1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
InChi Key	XJTIGGCBXFIZJV-UHFFFAOYSA-N
Smiles	CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
Isomeric SMILES	CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
PubChem CID	67983918
分子量	391.47

化学和物理性质

溶解性	Solubility (25°C) In vitro DMSO: 78 mg/mL (199.24 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	78
DMSO(mM) Max Solubility	199.2489846
Water(mg / mL) Max Solubility	＜1
分子量	391.500 g/mol
XLogP3	2.600
氢键供体数Hydrogen Bond Donor Count	3
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	391.212 Da
单同位素质量Monoisotopic Mass	391.212 Da
拓扑极表面积Topological Polar Surface Area	109.000 Å²
重原子数Heavy Atom Count	29
形式电荷Formal Charge	0
复杂度Complexity	509.000
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	1