Azvudine
基本情報
- CAS
1011529-10-4- 標準SMILES
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O- InChIKey
KTOLOIKYVCHRJW-XZMZPDFPSA-N- 分子式
- C9H11FN6O4
- 平均分子量
- 286.22 g/mol
- 単同位体質量
- 286.08258102
概要
Azvudine is under investigation in clinical trial NCT04668235 (Study on Safety and Clinical Efficacy of AZVUDINE in COVID-19 Patients (Sars-cov-2 Infected)).
名称と識別子
- 優先名称
- Azvudine
- IUPAC
- 4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- 英語名
- 4'-C-azido-2'-deoxy-2'-fluoro-beta-D-arabinocytidine
- 分子式
- C9H11FN6O4
- 分子量
- 286.2198432
名称と別名
Azvudine1011529-10-4RO-0622IJ2XP0ID0KRO 0622DTXSID9010277572'-deoxy-2'-beta-fluoro-4'-azidocytidine4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-((imino-l,5-azanylidene)amino)tetrahydrofuran-2-yl)pyrimidin-2-oneRefChem:116173DTXCID0015133332(1H)-Pyrimidinone, 4-amino-1-(4-c-azido-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-((imino-l,5-azanylidene)amino)tetrahydrofuran-2-yl)pyrimidin-2-one
名称をさらに表示
FNCAzvudine (RO 0622)Azvudine, 10 mM in DMSOEravacycline Impurity 94'-Azido-2'-deoxy-2'-fluoroaracytidine4′-azido-2′-deoxy-2′-fluoro-β-D-arabinocytidine4’-Azido-2’-deoxy-2’-fluoroaracytidine, Azvudine4'-C-Azido-2'-deoxy-2'-fluoro-β-D-arabinocytidine
4-Amino-1-(4-c-azido-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone4-amino-1-((2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneMFCD265231344-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one4'-C-Azido-2'-deoxy-2'-fluoro-b-D-arabinocytidine4'-C-azido-2'-deoxy-2'-fluoro-beta-D-arabinocytidineAzvudine?
データベース識別子
- CAS
1011529-10-4- PubChem CID
- 24769759
- DTXSID
DTXSID901027757- ChEMBL
CHEMBL519846- UNII
- IJ2XP0ID0K
- Nikkaji
- J2.560.804F
物性
構造計算による物性
- XLogP
- -0.8
- 極性表面積
- 123 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 533
物理化学的性質
- 融点
- 99 · 99.0-100.0℃
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 57 mg/mL · DMSO: 57 mg/mL (199.15 mM);Ethanol: 57 mg/mL (199.15 mM)
- 外見
- Solid
- 色
- White to off-white
- 水溶解度
- 57 mg/mL · Water: 57 mg/mL (199.15 mM)
- InChI
- InChI=1/C9H11FN6O4/c10-5-6(18)9(3-17,14-15-12)20-7(5)16-2-1-4(11)13-8(16)19/h1-2,5-7,17-18H,3H2,(H2,11,13,19)/t5-,6-,7+,9+/s3
- InChIKey
- KTOLOIKYVCHRJW-BODDTQOYNA-N
- SMILES
- C1(=O)N([C@H]2[C@@H](F)[C@H](O)[C@@](N=[N+]=[N-])(CO)O2)C=CC(N)=N1 |&1:3,4,6,8,r|
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H228
化学と産業
薬理情報
Mechanism of Action
Azvudine is a nucleoside reverse transcriptase inhibitor that acts against HIV, HBV, and HCV. Some studies also show that it is able to modulate the expression of proteins like P-glycoprotein (P-gp), MRP2, and BCRP; in one instance, it was also able to increase the activity of P-gp. In 2020, the compound was tested in numerous clinical trials for the treatment of mild and common COVID-19.
応用分野
説明Azvudine is an antiviral drug produced by Genuine Biotech and was approved in China in 2021 as a first-in-class drug for the treatment of human immunodeficiency virus (HIV).
上流・下流製品情報
上流原料
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