VV116 - ≥99% , CAS No.2779498-79-0

CAS: 2779498-79-0 Cat. No.: V649866 Formula: C₂₄H₃₁DBrN₅O₇ Peso molecolare: 583.45 PubChem CID: 163409081

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Panoramica

VV116 (JT001) is a deuterated version of Remdesivir , a highly orally active nucleoside antiviral against SARS-CoV-2 and respiratory syncytial virus ( RSV ). VV116 retains the antiviral activity of Remdesivir against COVID-19 , and is the first domestically produced deuterium targeting the COVID-19

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. Potential advantages of deuterated compounds: (1) Extend the half-life in vivo. Deuterated compounds may be able to prolong the pharmacokinetic characteristics of the compound, that is, prolong the half-life in vivo. This can improve compound safety, efficacy and tolerability, and increase ease of administration. (2) Improve oral bioavailability. Deuterated compounds may reduce the degree of unwanted metabolism (first-pass metabolism) in the gut wall and liver, allowing a greater proportion of the unmetabolized drug to reach its target site of action. High bioavailability determines its activity at low doses and better tolerance. (3) Improve metabolic characteristics. Deuterated compounds may reduce the formation of toxic or reactive metabolites and improve drug metabolism. (4) Improve drug safety. Deuterated compounds may reduce or eliminate adverse side effects of pharmaceutical compounds and are safe. (5) Preserve the therapeutic properties. Deuterated compounds are expected to retain similar biochemical potency and selectivity to hydrogen analogs in previous studies. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability Assay Cell Line: A549 (infected with RSV)Concentration: 0-1000 μM Incubation Time: 48 hours Result: Inhibited RSV replication in A549 cells with EC 50 of 1.20 ± 0.32 μM, CC 50 of 95.92 ± 9.27 μM and selectivity index (SI) of 80.

In Vivo

VV116 (25, 50 and 100 mg/kg; PO; b.i.d for 4 days) exhibits a stronger activity and decreases the virus titers below the detection limit at 50 mg/kg, also reduces lung injury after RSV infection . VV116 (25, 50 and 100 mg/kg; PO; single dosage) exhibits favorable PK properties and good safety profile . Pharmacokinetic Parameters of VV116 (JT001) in Balb/c mice . PO (25 mg/kg) PO (50 mg/kg) PO (100 mg/kg) T max (h) 0.42 ± 0.14 0.42 ± 0.14 0.42 ± 0.14 C max (ng/mL) 5360 ± 560 11617 ± 3443 24017 ± 6521 AUC 0-t (ng/mL·h) 11461 ± 1013 24594 ± 1059 47799 ± 6545 AUC 0-∞ (ng/mL·h) 11534 ± 992 24739 ± 1028 48014 ± 6696 MRT 0-∞ (ng/mL·h) 2.25 ± 0.32 2.15 ± 0.26 2.28 ± 0.53 T max (h) 2.30 ± 1.10 3.27 ± 1.92 4.25 ± 0.53 MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Balb/c mice Dosage: 25, 50 and 100 mg/kg Administration: PO; single dosage (Pharmacokinetics Analysis) Result: Exhibited favorable PK properties and good safety profile. Animal Model: Balb/c mice (6-8 weeks; intranasally infected with 4 × 10^6 FFU of RSV) Dosage: 25, 50 and 100 mg/kg Administration: PO; b.i.d for 4 days Result: Exhibited a stronger activity and decreased the virus titers below the detection limit at 50 mg/kg, also reduced lung injury after RSV infection.

Form:Solid

IC50& Target:SARS-CoV-2, RSV

Specifications

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

VV116 (JT001) is a deuterated version of Remdesivir ( HY-104077 ), a highly orally active nucleoside antiviral against SARS-CoV-2 and respiratory syncytial virus ( RSV ). VV116 retains the antiviral activity of Remdesivir against COVID-19 , and is the fir

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: [2H]C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)C#N)N.Br
• Isomeri SMILES: [2H]C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)C#N)N.Br
• PubChem CID: 163409081
• Peso molecolare: 583.45

Proprietà chimiche e fisiche

• Solubilità: DMSO : 250 mg/mL (428.49 mM; Need ultrasonic)