3'-Fluoro-2',3'-dideoxyguanosine
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기본 정보
- CAS
92562-88-4- 표준 SMILES
Nc1nc2c(ncn2[C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]1- InChIKey
RTJUXLYUUDBAJN-KVQBGUIXSA-N- 분자식
- C10H12FN5O3
- 평균 분자량
- 269.23 g/mol
- 단동위원소 질량
- 269.09241746
개요
Lagociclovir is a small molecule drug. The usage of the INN stem '-ciclovir' in the name indicates that Lagociclovir is a antiviral, bicyclic heterocycle compound. Lagociclovir has a monoisotopic molecular weight of 269.09 Da.
이름 및 식별자
- 우선 이름
- 3'-Fluoro-2',3'-dideoxyguanosine
- IUPAC
- 2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
- 영어명
- 2',3'-Dideoxy-3'-fluoro-guanosine
- 분자식
- C10H12FN5O3
- 분자량
- 269.23
이름 및 동의어
3'-Fluoro-2',3'-dideoxyguanosineRefChem:152120Lagociclovir92562-88-42',3'-Dideoxy-3'-fluoroguanosineFddguoLagociclovir [INN]3'-FddG2',3'-DIDEOXY-3'-FLUORO-GUANOSINEMIV-210UU109JJU0UGuanosine, 2',3'-dideoxy-3'-fluoro-
이름 더 보기
MIV 210Lagociclovir(MIV-210)Lagociclovir, 10 mM in DMSO2,3’-dideoxy-3’-fluoro guanosine, Lagociclovir2-amino-9-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
UNII-UU109JJU0U2-AMINO-9-[(2R,4S,5R)-4-FLUORO-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PURIN-6-ONE2-amino-9-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-oneDTXSID902390442-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneRTJUXLYUUDBAJN-KVQBGUIXSA-NLAGOCICLOVIR [WHO-DD]
데이터베이스 식별자
- CAS
92562-88-4- PubChem CID
물성
구조 계산 물성보충 중
- XLogP
- -0.9
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 420
물리화학적 성질
- 녹는점
- 253 · 253-255 °C (decomp)
- 끓는 점
- 633.5 · 633.5±65.0 °C(Predicted)
- 밀도
- 2.01 · 2.01±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 14.44 · 14.44±0.10(Predicted)
- InChI
- InChI=1S/C10H12FN5O3/c11-4-1-6(19-5(4)2-17)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,(H3,12,14,15,18)/t4-,5+,6+/m0/s1
- InChIKey
- RTJUXLYUUDBAJN-KVQBGUIXSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=O)N=C2)C[C@@H]1F
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.
Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
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