2'-O-메틸시티딘

2'-O-Methylcytidine

HCID 150971CAS 2140-72-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIKey: RFCQJGFZUQFYRF-ZOQUXTDFSA-N
분자식: C10H15N3O5
평균 분자량: 257.24 g/mol
단동위원소 질량: 257.10117058

개요

2'-O-methylcytidine is a methylcytidine.

이름 및 식별자

우선 이름: 2'-O-Methylcytidine
IUPAC: 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
영어명: 2'-O-Methylcytidine
분자식: C10H15N3O5
분자량: 257.24

이름 및 동의어

2'-O-Methylcytidine2140-72-9Cytidine, 2'-O-methyl-O(2')-Methylcytidine5XD9IH2G27CHEBI:19228RefChem:804262'-O-Methyl cytidine4-amino-1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)pyrimidin-2(1H)-oneMFCD115190764-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one2 inverted exclamation marka-O-methylcytidine

이름 더 보기

2'-OMe-C2'-OMe-rC2'-O-Me-rC2′-0-Methylcytidine2'-OMe-Cr2'-O-Me-dC2'-OMe Cytidine2'-OMe-cytidine

2'-O-METHYL-CYTIDINE4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]pyrimidin-2-oneO-2-MethylcytidineO2'-methylycytidineOMe-rC2 -O-MethylcytidineUNII-5XD9IH2G27SCHEMBL64632

데이터베이스 식별자

CAS: 2140-72-9、58970-16-4
PubChem CID: 150971
DTXSID: DTXSID50943958
ChEMBL: CHEMBL176605
ChEBI: CHEBI:19228
UNII: 5XD9IH2G27
Nikkaji: J120.782B

물성

구조 계산 물성

XLogP: -1.6
극성 표면적: 118 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 397

물리화학적 성질

녹는점: 252 · 252-253 C
끓는 점: 506 · 506.0±60.0 °C(Predicted)
밀도: 1.68 · 1.68±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
용해도: DMSO에 용해됩니다.
산도 계수 (pKa): 13.37 · 13.37±0.70(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
수소이온지수(pH): 4.2 · 4.2
주요 응용: 제약
InChI: InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1
InChIKey: RFCQJGFZUQFYRF-ZOQUXTDFSA-N
SMILES: OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](OC)[C@@H]1O

화학적 성질

White powder

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2'-O-Methylcytidine is a nucleoside with a hydroxyl group on the 2' carbon, making it an effective viral replication inhibitor. 2'-O-Methylcytidine is also metabolized by nucleotide salvage pathways and may be able to bind to the response element on DNA, which could inhibit protein synthesis in cancer cells. It is an inhibitor of hepatitis C virus (HCV) non-structural protein 5B (NS5B; IC50 = 3.8 μM). It inhibits HCV replication in a replicon assay (IC50 = 21.2 μM).

용도2'-O-Methylcytidine is used in the preparation of nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase.