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名称

ABT-072, 丙型肝炎病毒 NS5B RNA 依赖性 RNA 聚合酶抑制剂

分子类型

小分子

英文别名

1132936-00-5 | SCHEMBL479219 | DC20625 | ABT 072 | AKOS027337126 | Methanesulfonamide, N-(4-((1E)-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)ethenyl)phenyl)- | N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)

英文名称

ABT-072

货号

A650104-5mg

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

ABT-072 is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC 50 =1 nM; HCV GT1b EC 50 =0.3 nM) In Vitro ABT-072 is a non-nucleoside NS5B polymerase inhibitor with nanomolar potency in vitro against genotype 1a and 1b hepatitis C virus polymerases. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo ABT-072 (5 and/or 30 mg/kg; i.v. or p.o.) shows good PK properties. ABT-072 (2.5 and/or 30 mg/kg; i.v. or p.o.) shows low plasma clearance and high oral bioavailability. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: RatsDosage: 5 and/or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed good PK properties. Animal Model: DogDosage: 2.5 or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed low plasma clearance and high oral bioavailability. Form:Solid IC50& Target:NS5B polymerase

生化机理

ABT-072 是一种口服活性强效非核苷类 HCV NS5B 聚合酶抑制剂（HCV GT1a EC 50 =1 nM；HCV GT1b EC 50 =0.3 nM）。

CAS号

1132936-00-5

分子式

C24H27N3O5S

分子量

469.55 g/mol

PubChem编号

57775240

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O

IIUPAC Name

N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide

INCHI

1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+

InChi Key

XMZSTQYSBYEENY-RMKNXTFCSA-N

Smiles

CC(C)(C)C1=CC(=CC(=C1OC)C=CC2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O

PubChem CID

57775240

关联CAS

1132936-00-5,1214735-11-1

MeSH Entry Terms

ABT-072

溶解性

DMSO : 80 mg/mL (170.38 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

469.167 Da

单同位素质量Monoisotopic Mass

469.167 Da

拓扑极表面积Topological Polar Surface Area

113.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

879

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.6

ALogP

3.6

作用类型

抑制剂

作用机制

丙型肝炎病毒 NS5B RNA 依赖性 RNA 聚合酶抑制剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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