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名称
NBDHEX
分子类型
小分子
别名
北德意志交易所
英文名称
NBDHEX
货号
N648287-5mg
包装规格
5mg
浓度
≥99%
储存温度
-20°C储存
运输条件
超低温冰袋运输
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
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。
CAS号
787634-60-0
分子式
C12H15N3O4S
分子量
297.33 g/mol
PubChem编号
9817686
Isomeric SMILES
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
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-]
PubChem CID
9817686
MeSH Entry Terms
6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol;NBDHEX compound
溶解性
DMSO : 125 mg/mL (420.41 mM; Need ultrasonic)
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 Ų
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
共价键合单元计数Covalently-Bonded Unit Count
1
XLogP3
2.300
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NBDHEX 5mg

品牌:阿拉丁
货号:N648287-5mg
级别: ≥99%
货期:30天
已售 734 件
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