CAS 847453-47-8 Isotorabine (HCID 11234476)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 847453-47-8
표준 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
분자식: C14H16N4O7S
평균 분자량: 384.37 g/mol

개요

ANA975 is a toll-like receptor 7 agonist that is developed for the treatment of hepatitis C.

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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)-

데이터베이스 식별자

CAS: 847453-47-8
PubChem CID

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 179 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 11
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 594

화학 및 산업

약리 정보

Mechanism of Action · 1건

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.