5.32978

PLD2 Inhibitor, ML395

• Synonym(s): PLD2 Inhibitor, ML395, Phosppolipase D2 inhibitor, VU0468809, ML-395
• Empirical Formula (Hill Notation): C₂₆H₂₉N₅O₂
• CAS Number: 1638957-17-1
• Molecular Weight: 443.54
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Assay: ≥97% (HPLC)
• Quality Level: 100
• form: solid
• potency: 360 nM IC₅₀
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: off-white
• solubility: DMSO: 50 mg/mL
• storage temp.: 2-8°C

Description

General description

A cell permeable, triazaspirone derivative that acts as a highly potent, selective, and direct allosteric inhibitor of phospholipase D2 (PLD2; IC₅₀ = 360 nM in exogenous biochemical assay). Exhibits >80-fold selectivity over phospholipase D1 (PLD1; IC₅₀ = 30 µM). Shown to permeate the blood-brain barrier. Protects A549 cells from multiple strains of influenza virus when cells were pre-treated with this compound. Exhibits excellent DMPK profile (hepatic microsomal clearance = 82.1 ml/min/kg in Sprague-Dawley rats) and conforms to Lipinski′s rule and has favorable lipophilicity. Also displays favorable cytochrome P450 profile (CYP3A4 IC₅₀ = 3.9 µM, CYP2D6 IC₅₀ =16.4 µM, CYP1A2 IC₅₀>30 µM, and CYP2C9 IC₅₀>30 µM).

A cell permeable, triazaspirone derivative that acts as a highly potent, selective, and direct allosteric inhibitor of phospholipase D2 (PLD2; IC₅₀ = 360 nM in exogenous biochemical assay). Exhibits >80-fold selectivity over phospholipase D1 (PLD1; IC₅₀ = 30 µM). Shown to permeate the blood-brain barrier. Protects A549 cells from multiple strains of influenza virus when cells were pre-treated with this compound. Exhibits excellent DMPK profile (hepatic microsomal clearance = 82.1 ml/min/kg in Sprague-Dawley rats) and conforms to Lipinski′s rule and has favorable lipophilicity. Also displays favorable cytochrome P450 profile (CYP3A4 IC₅₀ = 3.9 µM, CYP2D6 IC₅₀ =16.4 µM, CYP1A2 IC₅₀>30 µM, and CYP2C9 IC₅₀>30 µM).

Please note that the molecular weight for this compound is batch-specific due to variable water content.

ML395 is a cell permeable, highly potent, selective, and direct allosteric inhibitor of phospholipase D2 (PLD2; IC₅₀ = 360 nM) that exhibits >80-fold selectivity over PLD1.

Biochem/physiol Actions

Primary Target
PLD2

Reversible: yes

Warning

Toxicity: Standard Handling (A)

Reconstitution

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C).

Other Notes

O′Reilly, M.C., et al. 2014. ChemMedChem9, 2633.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable