NBDHEX

COA

级别和纯度:

≥99%

CAS编号: 787634-60-0
分子式: C₁₂H₁₅N₃O₄S
分子量: 297.33
PubChem编号: 9817686

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货号 (SKU)	包装规格	是否现货
N648287-5mg	5mg	期货
N648287-10mg	10mg	期货
N648287-50mg	50mg	期货
N648287-100mg	100mg	期货

查看相关系列

Amino Acid/Protein Metabolism (4559) Apoptosis (7108) Autophagy (2848) Glutathione Peroxidase (23) Metabolic Enzyme/Protease (4889)

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基本描述

别名	北德意志交易所
规格或纯度	≥99%
英文名称	NBDHEX
生化机理	NBDHEX 是一种强效谷胱甘肽 S 转移酶 P1-1（GSTP1-1）抑制剂。NBDHEX 可诱导肿瘤细胞凋亡。NBDHEX 通过抑制谷胱甘肽 S 转移酶的催化活性来发挥抗癌作用，从而避免了抑制剂从细胞中排出的不便。
储存温度	-20°C储存
运输条件	超低温冰袋运输
作用类型	抑制剂
产品介绍	NBDHEX is a potent glutathione S-transferase P1-1 (GSTP1-1) inhibitor. NBDHEX induces apoptosis of tumor cells. NBDHEX acts as an anticancer agent by inhibiting GSTs catalytic activity, avoiding inconvenience of the inhibitor extrusion from the cell by specific pumps and disrupting the interaction between the GSTP1-1 and key signaling effectors. NBDHEX can also act as late-phase autophagy inhibitor In Vitro NBDHEX (0.05-20 μM; 48 hours; H69 and H69AR cells) is cytotoxic toward cell lung cancer H69 and H69AR cells. NBDHEX (0-5 μM; 24 hours; H69AR cells) treatment results in a dose-dependent apoptosis in the H69AR cell line. NBDHEX (3 μM; 1-12 hours; H69AR cells) treatment increases the phosphorylation of JNK/c-Jun in H69AR cells in a time-dependent fashion. NBDHEX treatment shows a marked increase in phosphorylation of p38 MAPK , and also increases GSSG content in a time-dependent manner in H69 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H69 and H69AR cells Concentration: 0.05-20 μM Incubation Time: 48 hours Result: The dose-response profiles revealed a good cytotoxic activity both in sensitive H69 cell line (LC 50 of 2.3 μM) and in its Adriamycin-resistant counterpart H69AR (LC 50 of 4.5 μM). Apoptosis AnalysisCell Line: H69AR cells Concentration: 0 μM, 0.5 μM, 1 μM, 2 μM, 3 μM, 4 μM, 5 μM Incubation Time: 24 hours Result: Resulted in a dose-dependent apoptosis in the H69AR cell line. Western Blot AnalysisCell Line: H69AR cells Concentration: 3 μM Incubation Time: 1 hour,3 hours, 6 hours, 12 hours Result: Increased the phosphorylation of JNK/c-Jun in H69AR cells in a time-dependent fashion. In Vivo NBDHEX (0.8-80 mg/kg/day; oral administration; daily; for 15 days; SCID female mice) treatment results a statistically significant tumour inhibition (approximately 70%). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SCID female mice (4-5 weeks) injected with Me501cellsDosage: 0.8 mg/kg/day, 8.0 mg/kg/day or 80 mg/kg/day Administration: Oral administration; daily; for 15 days Result: A statistically significant tumour inhibition (approximately 70%) was observed. Form:Solid IC50& Target:Glutathione S-transferase P1-1 (GSTP1-1), ,Apoptosis, ,Autophagy
纯度	≥99%

关联靶点（人）

GSTP1 Tchem 谷胱甘肽S转移酶P(Glutathione S-transferase P) (1 活性数据)

点击查看靶蛋白信息： GSTP1

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

GSTM2 Tchem 谷胱甘肽S-转移酶Mu2(Glutathione S-transferase Mu 2) (2 活性数据)

点击查看靶蛋白信息： GSTM2

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

GSTM2 Tchem Glutathione S-transferase Mu 2 (77 活性数据)

点击查看靶蛋白信息： GSTM2

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

GSTP1 Tchem Glutathione S-transferase Pi (449 活性数据)

点击查看靶蛋白信息： GSTP1

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

143B (353 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

U2OS (164939 活性数据)

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

A549 (127892 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

HOS (906 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

HUVEC (11049 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）

Giardia intestinalis (1290 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	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
INCHI	1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
InChi Key	RGXYYAZGELLKDA-UHFFFAOYSA-N
Smiles	C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
Isomeric SMILES	C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
PubChem CID	9817686
MeSH Entry Terms	6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol;NBDHEX compound
分子量	297.33

化学和物理性质

溶解性	DMSO : 125 mg/mL (420.41 mM; Need ultrasonic)
分子量	297.330 g/mol
XLogP3	2.300
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	7
精确质量Exact Mass	297.078 Da
单同位素质量Monoisotopic Mass	297.078 Da
拓扑极表面积Topological Polar Surface Area	130.000 Å²
重原子数Heavy Atom Count	20
形式电荷Formal Charge	0
复杂度Complexity	316.000
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

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