基本情報
- CAS
847453-47-8- 標準SMILES
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](CO)O[C@H]1n1c(=O)sc2cnc(N)nc21- InChIKey
ZWELIJXAKMASLK-UGKPPGOTSA-N- 分子式
- C14H16N4O7S
- 平均分子量
- 384.37 g/mol
概要
ANA975 is a toll-like receptor 7 agonist that is developed for the treatment of hepatitis C.
名称と識別子
- 優先名称
- Isotorabine
- IUPAC
- [(2R,3R,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
名称と別名
Isotorabine847453-47-8ANA-9755UN5EF99CEAN 975UNII-5UN5EF99CE(2R,3R,4R,5R)-2-(5-Amino-2-oxothiazolo[4,5-d]pyrimidin-3(2H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diyl diacetate((2R,3R,4R,5R)-4-Acetoxy-5-(5-amino-2-oxo-thiazolo(4,5-d)pyrimidin-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl) acetateThiazolo(4,5-d)pyrimidin-2(3H)-one, 5-amino-3-(2,3-di-O-acetyl-beta-D-ribofuranosyl)-[(2R,3R,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-yl] acetateANA975SCHEMBL510504
名称をさらに表示
ZWELIJXAKMASLK-UGKPPGOTSA-N5-Amino-3-(2',3'-di-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo [4,5-d]pyrimidin-2-one5-Amino-3-(2',3'-di-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-one5-Amino-3-(2,3'-di-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-oneTHIAZOLO(4,5-D)PYRIMIDIN-2(3H)-ONE, 5-AMINO-3-(2,3-DI-O-ACETYL-.BETA.-D-RIBOFURANOSYL)-
データベース識別子
- CAS
847453-47-8- PubChem CID
- 11234476
- UNII
- 5UN5EF99CE
物性
構造計算による物性
- XLogP
- -0.8
- 極性表面積
- 179 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 11
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 594
化学と産業
薬理情報
Mechanism of Action
ANA975 is an oral prodrug of isatoribine, a small molecule toll-like receptor 7 (TLR-7) agonist. Isatoribine is a patented nucleoside analog Anadys is developing for the treatment of HCV infection. Isatoribine is one of a new class of drugs being developed by Anadys to regulate innate immunity, combat HCV infection and overcome limitations of current therapies. Anadys believes isatoribine interacts with a specific receptor, Toll-like receptor 7, or TLR7, that is present on certain immune system cells.
関連反応
10 件
化合物ノート
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