Fiac
기본 정보
- CAS
69123-90-6- 표준 SMILES
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I- InChIKey
GIMSJJHKKXRFGV-BYPJNBLXSA-N- 분자식
- C9H11FIN3O4
- 평균 분자량
- 371.1 g/mol
- 단동위원소 질량
- 370.97783
개요
Fiacitabine has been used in trials studying the treatment of HIV Infections and Cytomegalovirus Infections.
이름 및 식별자
- 우선 이름
- Fiac
- IUPAC
- 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
- 영어명
- Fiacitabine
- 분자식
- C9H11FIN3O4
- 분자량
- 371.1
이름 및 동의어
FIACITABINE69123-90-6FIACFiacitabinaFluorviodoaracytidineFiacitabinumDTXSID8057807DRG-00772'-Fluoro-5-iodo-aracytosine1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodocytosine4058H365ZBNSC-382097
이름 더 보기
FOACNSC382097NSC 382097NSC -82097FICA, NSC382097, FOACFiacitabine (NSC-382097FOAC|||FIAC|||NSC 382097
2'-Fluoro-5-iodo-1-beta-D-arabinofuranosylcytosineDTXCID6031596Cytosine, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodo-2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodo-RefChem:5991832'-deoxy-2'-fluoro-beta-arabinofuranosyl-5-iodocytosine1-(2-fluoro-2-deoxy-beta-D-arabinofuranosyl)-5-iodocytosine4-amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodo-2(1H)-pyrimidinone,
데이터베이스 식별자
- CAS
69123-90-6- PubChem CID
- 50312
- DTXSID
DTXSID8057807- ChEMBL
CHEMBL272557- UNII
- 4058H365ZB
- Nikkaji
- J22.241K
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 430
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 524.6 · 524.6±60.0 °C(Predicted)
- 밀도
- 2.44 · 2.44±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 37 mg/mL · DMSO: ≥ 37 mg/mL (99.70 mM)
- 산도 계수 (pKa)
- 12.84 · 12.84±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- White to off-white
- InChI
- InChI=1/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/s3
- InChIKey
- GIMSJJHKKXRFGV-BBGMGYHKNA-N
- SMILES
- [C@H]1(O[C@H](CO)[C@@H](O)[C@@H]1F)N1C=C(C(N)=NC1=O)I |&1:0,2,5,7,r|
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
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
개요Fiacitabine is a pyrimidine nucleoside analog with activity against various herpesviruses. It is converted to its triphosphate form in vivo and inhibits viral DNA polymerase. It has been used in trials studying the treatment of HIV Infections and Cytomegalovirus Infections.
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