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Baloxavir marboxil

抗病毒抑制剂
规格或纯度: 97%
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货号 (SKU) 包装规格 是否现货 价格 数量
B413378-1mg 1mg 现货 Stock Image
B413378-5mg 5mg 现货 Stock Image
B413378-10mg 10mg 现货 Stock Image
B413378-25mg 25mg 现货 Stock Image
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基本描述

规格或纯度 97%
英文名称 Baloxavir marboxil
别名 Carbonic acid,[[(12aR)?-?12-?[(11S)?-?7,?8-?difluoro-?6,?11-?dihydrodibenzo[b,?e]?thiepin-?11-?yl]?-?3,?4,?6,?8,?12,?12a-?hexahydro-?6,?8-?dioxo-?1H-?[1,?4]?oxazino[3,?4-?c]?pyrido[2,?1-?f]?[1,?2,?4]?triazin-?7-?yl]?oxy]?methyl methyl ester；S-033188
英文别名 Carbonic acid,[[(12aR)?-?12-?[(11S)?-?7,?8-?difluoro-?6,?11-?dihydrodibenzo[b,?e]?thiepin-?11-?yl]?-?3,?4,?6,?8,?12,?12a-?hexahydro-?6,?8-?dioxo-?1H-?[1,?4]?oxazino[3,?4-?c]?pyrido[2,?1-?f]?[1,?2,?4]?triazin-?7-?yl]?oxy]?methyl methyl ester；S-033188
生化机理 Baloxavir marboxil, a cap-endonuclease inhibitor, is an antiviral drug.
储存温度 -20°C储存,充氩
运输条件 超低温冰袋运输
产品介绍


Information

Baloxavir marboxil Baloxavir marboxil, a cap-endonuclease inhibitor, is an antiviral drug.


In vivo

Single-dose oral baloxavir marboxil is well tolerated, had a favorable safety profile, and has favorable pharmacokinetic characteristics, including a long half-life, supporting single oral dosing. In nonclinical studies, baloxavir marboxil is a prodrug and is converted to an active form, baloxavir acid, by hydrolysis. After single oral administration in rats and monkeys, plasma concentrations of baloxavir marboxil are below the lower limit of quantification (LLOQ) at all sampling points, and area under the plasma concentration-time curve of baloxavir acid increased dose proportionally. The major excretion route of radioactivity is via fecal excretion, whereas urinary excretion was low in rats and monkeys. Baloxavir marboxil has shown therapeutic activity in preclinical models of influenza A and B virus infections, including strains resistant to current antiviral agents. In murine models of seasonal influenza and avian influenza A(H5N1) or A(H7N9), orally administered baloxavir is associated with rapid reductions in pulmonary viral loads and decreased mortality.

产品属性

ALogP 2.602
Rotatable Bond 6
DMSO(mM) Max Solubility 174.962820400665
DMSO(mg / mL) Max Solubility 100
Water(mg / mL) Max Solubility ＜1

名称和标识符

IUPAC Name [(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
INCHI InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1
InChi Key RZVPBGBYGMDSBG-GGAORHGYSA-N
Canonical SMILES COC(=O)OCOC1=C2C(=O)N3CCOCC3N(N2C=CC1=O)C4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F
分子式

C27H23F2N3O7S
PubChem CID 124081896
分子量 571.55

化学和物理性质

溶解性 Solubility (25°C) In vitro DMSO: 100 mg/mL (174.96 mM); Ethanol: 7 mg/mL (12.24 mM); Water: Insoluble;

安全信息

象形图
ghs09

Environmental Hazard
危险声明 H411: Toxic to aquatic life with long lasting effects
预防措施声明 P273,P501,P391

关联配体

Ligand ID 11748
名称 baloxavir marboxil
别名 Xofluza®
类别 Synthetic organic
学名 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
生物活性评价 Bioactivity is associated with the active metabolite baloxavir (S-033447). Baloxavir inhibits Influenza A-induced death of MDCK cells in vitro with an EC50 of 0.9 nM .
评价 Baloxavir marboxil is an orally delivered anti-influenza virus drug. It is a prodrug that is converted to baloxavir . Mechanistically baloxavir is a first-in-class inhibitor of the cap-endonuclease (CEN) activity of an acidic protein within the viral polymerase complex that is essential for viral gene transcription and replication. Alternative influenza antivirals (e.g. , peramivir and zanamivir) target the neuraminidase enzyme that is required for fusion and entry of virus into the host cells, and the budding process that releases newly synthesised virions.

参考文献

1. Ivashchenko AA, Mitkin OD, Jones JC, Nikitin AV, Koryakova AG, Ryakhovskiy A, Karapetian RN, Kravchenko DV, Aladinskiy V, Leneva IA et al..  (2020)  Non-rigid Diarylmethyl Analogs of Baloxavir as Cap-Dependent Endonuclease Inhibitors of Influenza Viruses..  J Med Chem,  63  (17):  (9403-9420).  [PMID:32787099]
2. Takashita E, Morita H, Ogawa R, Nakamura K, Fujisaki S, Shirakura M, Kuwahara T, Kishida N, Watanabe S, Odagiri T.  (2018)  Susceptibility of Influenza Viruses to the Novel Cap-Dependent Endonuclease Inhibitor Baloxavir Marboxil..  Front Microbiol,  9  (13):  (3026).  [PMID:30574137]
3. Abraham GM, Morton JB, Saravolatz LD.  (2020)  Baloxavir: A Novel Antiviral Agent in the Treatment of Influenza..  Clin Infect Dis,  71  (7):  (1790-1794).  [PMID:32020174]

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