Galidesivir
基本情報
- CAS
249503-25-1- 標準SMILES
Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12- InChIKey
AMFDITJFBUXZQN-KUBHLMPHSA-N- 分子式
- C11H15N5O3
- 平均分子量
- 265.27 g/mol
- 単同位体質量
- 265.11748936
概要
Galidesivir is an adenosine analogue that has been investigated for use against Zaire Ebolavirus. In animal studies, galidesivir was effective in increasing the survival rates from infections caused by various pathogens, including Ebola, Marburg, Yellow Fever and Zika viruses. In vitro, it displayed broad-spectrum antiviral activity against various negative- and positive-sense RNA viruses, including coronaviruses, filoviruses, and arenaviruses. Phase 1 clinical trials have begun to determine the safety of this drug in humans. Because of its activity against other coronaviruses, it may be studied as a potential therapy for COVID-19.
名称と識別子
- 優先名称
- Galidesivir
- IUPAC
- (2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
- 英語名
- 3,4-Pyrrolidinediol, 2-(4-amino-5H-pyrrolo3,2-dpyrimidin-7-yl)-5-(hydroxymethyl)-, (2S,3S,4R,5R)-
- 分子式
- C11H15N5O3
- 分子量
- 265.27
名称と別名
Galidesivir249503-25-1IMMUCILLIN AImmucillin-ABCX4430(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diolImmA cpdOLF97F86A73,4-PYRROLIDINEDIOL, 2-(4-AMINO-5H-PYRROLO(3,2-D)PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-, (2S,3S,4R,5R)-DTXSID0010280392-(4-Amino-5H-pyrrolo(3,2-d)pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diolgalidesivirum
名称をさらに表示
BCX4430 (freebase)GALIDESIVIR (BCX 4430)BCX4430 freebase (Galidesivir)3,4-Pyrrolidinediol, 2-(4-amino-5H-pyrrolo3,2-dpyrimidin-7-yl)-5-(hydroxymethyl)-, (2S,3S,4R,5R)-
(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo(3,2-d)pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diolRefChem:142164DTXCID001513602BCX 4430BCX4430 freebaseBCX-44303,4-Pyrrolidinediol,2-(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-5-(Hydroxymethyl)-2s,3s,4r,5rUNII-OLF97F86A7
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 140 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 333
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 沸点
- 661.2 · 661.2±55.0 °C(Predicted)
- 比重(密度)
- 1.63 · 1.630±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 外見
- Solid
- 酸解離定数(Pka)
- 13.78 · 13.78±0.40(Predicted)
- 色
- White to off-white
- 水溶解度
- 1.53 mg/mL · Water : 1.53 mg/mL (5.77 mM)
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。
危険有害性情報
Regulatory Information
3,4-Pyrrolidinediol, 2-(4-amino-5H-pyrrolo3,2-dpyrimidin-7-yl)-5-(hydroxymethyl)-, (2S,3S,4R,5R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
化学と産業
薬理情報
Pharmacodynamics
Galidesivir is an adenosine analogue with a broad-spectrum antiviral activity against RNA viruses, including flaviviruses, togaviruses, bunyaviruses, arenaviruses, paramyxoviruses, coronaviruses, filoviruses, orthomyxoviruses, and picornaviruses.
Mechanism of Action
Galidesivir works by binding to viral RNA polymerase where the natural nucleotide would bind, leading to the structural change in the viral enzyme due to altered electrostatic interactions. Disruption of viral RNA polymerase activity results in premature termination of the elongating RNA strand.
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.
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