Pimodivir HCl

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 596254

CAS#: 1777721-70-6 (HCl)

Description: Pimodivir, also known as VX-787, JNJ-872, is a novel inhibitor of influenza virus replication that blocks the PB2 cap-snatching activity of the influenza viral polymerase complex. VX-787 binds the cap-binding domain of the PB2 subunit with a KD (dissociation constant) of 24 nM as determined by isothermal titration calorimetry (ITC). The cell-based EC50 (the concentration of compound that ensures 50% cell viability of an uninfected control) for VX-787 is 1.6 nM in a cytopathic effect (CPE) assay, with a similar EC50 in a viral RNA replication assay. VX-787 is active against a diverse panel of influenza A virus strains, including H1N1pdm09 and H5N1 strains, as well as strains with reduced susceptibility to neuraminidase inhibitors (NAIs).

Chemical Structure

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Pimodivir HCl
CAS# 1777721-70-6 (HCl)
Instruction

Theoretical Analysis

MedKoo Cat#: 596254
Name: Pimodivir HCl
CAS#: 1777721-70-6 (HCl)
Chemical Formula: C40H42Cl2F4N10O5
Exact Mass: 888.27
Molecular Weight: 889.730
Elemental Analysis: C, 54.00; H, 4.76; Cl, 7.97; F, 8.54; N, 15.74; O, 8.99

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1777721-70-6 (HCl)   1629869-44-8 (free base)   1777814-27-3 (tosylate)  

Synonym: Pimodivir HCl; Pimodivir hydrochloride; Pimodivir hydrochloride hemihydrate; VX787 HCl; VX 787 HCl; VX-787 HCl

IUPAC/Chemical Name: (2S,3S)-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid hydrochloride hemihydrate

InChi Key: WPLSKBKDOCXXMO-KIHJVYKPSA-N

InChi Code: InChI=1S/2C20H19F2N5O2.2ClH.H2O/c2*21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29;;;/h2*5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27);2*1H;1H2/t2*9?,10?,15-,16-;;;/m00.../s1

SMILES Code: O=C([C@H]1C(CC2)CCC2[C@@H]1NC3=NC(C4=CNC5=NC=C(F)C=C54)=NC=C3F)O.O=C([C@H]6C(CC7)CCC7[C@@H]6NC8=NC(C9=CNC%10=NC=C(F)C=C%109)=NC=C8F)O.O.Cl.Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 889.73 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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