기본 정보
- CAS
78842-13-4- 표준 SMILES
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1- InChIKey
UXUZARPLRQRNNX-DXTOWSMRSA-N- 분자식
- C10H12FN5O4
- 평균 분자량
- 285.23 g/mol
- 단동위원소 질량
- 285.08733208
개요
has activity in human respiratory epithelial cells against both influenza A & B viruses
이름 및 식별자
- 우선 이름
- 2'-Deoxy-2'-fluoroguanosine
- IUPAC
- 2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
- 영어명
- 2'-Deoxy-2'-fluoroguanosine
- 분자식
- C10H12FN5O4
- 분자량
- 285.23
이름 및 동의어
78842-13-42'-Deoxy-2'-fluoroguanosine2'-DfgsGuanosine, 2'-deoxy-2'-fluoro-DTXSID40229334RefChem:80244DTXCID601518252'-Fluoro-2'-deoxyguanosine2'-Fluoro -2'-deoxyguanosineMFCD009238322 inverted exclamation marka-Deoxy-2 inverted exclamation marka-fluoroguanosine2-Fluoro -2-deoxyguanosine
이름 더 보기
2'-F-G2'-FdG2'-F-2'-dG2'-Fluoro-2'-dGGuanosine Impurity 92'-F-2'-deoxyguanosine2'-Deoxy-2'-fuoroguanosine
CHEMBL3087592-amino-9-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-oneSCHEMBL155320832-AMINO-9-[(2R,3R,4R,5R)-3-FLUORO-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PURIN-6-ONE9-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)guanine2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one2'-Fluoro-2'-deoxy-D-guanosinedeoxyfluoroguanosine
데이터베이스 식별자
- CAS
78842-13-4
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 449
물리화학적 성질
- 녹는점
- 262 · 262-264 °C(Solv: water (7732-18-5))
- 밀도
- 2.17 · 2.17±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- 50 mg/mL · DMSO : 50 mg/mL (175.30 mM)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9 · 9+-.0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
- InChIKey
- UXUZARPLRQRNNX-DXTOWSMRSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=O)N=C2)[C@H](F)[C@@H]1O
안전 및 규제
안전 데이터
- HS 번호
- 2934999090
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
응용 분야
용도2''-Deoxy-2''-fluoroguanosine, can be used as powerful tool for structural manipulation of G-quadruplexes. It is also a influenza viral polymerase inhibitor like Ribavirin (R414475), used as a antiviral drug against avian (H5N1) influenza virus.
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
苏州合生源生物医药科技有限公司13918488572 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
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