HIV-1 integrase inhibitor 8

COA

级别和纯度:

Moligand™

≥99%

CAS编号: 1568-80-5
分子式: C₂₁H₂₄O₂
分子量: 308.42
PubChem编号: 74071

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货号 (SKU)	包装规格	是否现货
H650812-50mg	50mg	期货
H650812-100mg	100mg	期货
H650812-1g	1g	期货
H650812-5g	5g	期货
H650812-25g	25g	期货

查看相关系列

HIV Integrase (29) Metabolic Enzyme/Protease (4889) Nucleic Acid Metabolism (949)

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基本描述

别名	HIV-1 整合酶抑制剂 8
英文别名	1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol \| 3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-6,6'-diol \| Phenyl butyl ether \| 1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- \| 3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro
规格或纯度	Moligand™, ≥99%
英文名称	HIV-1 integrase inhibitor 8
生化机理	HIV-1 整合酶抑制剂 8 是一种 HIV-1 整合酶抑制剂，即化合物 8。
储存温度	2-8°C储存,避光,充氩
运输条件	冰袋运输
产品介绍	HIV-1 integrase inhibitor 8 is a HIV-1 integrase inhibitor, compound 8. In Vitro HIV-1 integrase inhibitor 8 is against 3′-processing (TC) and strand-transfer (ST) activities in the presence of Mn 2+ as the cationic cofactor by gel assay with IC 50 values of 275 µM and 200 µM, respectively. It inhibits the strand-transfer (ST) activity with an IC 50 value of 200 µM. The DNA relaxation activity of MCV topoisomerase is monitored by gel electrophoresis, while DNA cleavage and religation activities were monitored using a microtiter assay. HIV-1 integrase inhibitor 8 inhibits MCV topoisomerase and DNA religation with IC 50 values of 500 µM and 200 µM, respectively. This result demonstrates that compound 8 is inactive against topoisomerase in both assays. HIV-1 integrase inhibitor 8 induces cell cytotoxicity and yields a LD 50 (dose at which the signal is reduced 50% due to cell death) of 20 μM in HeLa cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid
纯度	≥99%

关联靶点（其它种属）

pol Human immunodeficiency virus type 1 protease (9113 活性数据)

点击查看靶蛋白信息： pol

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

Molluscum contagiosum virus (31 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

Human immunodeficiency virus 1 (70413 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	1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
INCHI	1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
InChi Key	SICLLPHPVFCNTJ-UHFFFAOYSA-N
Smiles	CC1(CC2(CC(C3=C2C=C(C=C3)O)(C)C)C4=C1C=CC(=C4)O)C
Isomeric SMILES	CC1(CC2(CC(C3=C2C=C(C=C3)O)(C)C)C4=C1C=CC(=C4)O)C
关联CAS	1568-80-5
分子量	308.42

化学和物理性质

溶解性	DMSO : 125 mg/mL (405.30 mM; Need ultrasonic)
熔点	217 °C
分子量	308.400 g/mol
XLogP3	5.800
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	0
精确质量Exact Mass	308.178 Da
单同位素质量Monoisotopic Mass	308.178 Da
拓扑极表面积Topological Polar Surface Area	40.500 Å²
重原子数Heavy Atom Count	23
形式电荷Formal Charge	0
复杂度Complexity	436.000
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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