SML2714

VU0155072

≥98% (HPLC)

• Synonym(s): N-(2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)-2-naphthamide, N-(2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)naphthalene-2-carboxamide, N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl]-2-naphthalenecarboxamide, NOPT, VU0155072-2
• Empirical Formula (Hill Notation): C₂₆H₂₈N₄O₂
• CAS Number: 1130067-34-3
• Molecular Weight: 428.53
• MDL number: MFCD18382100
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: N2(C3(CCN(CC3)CCNC(=O)c4cc5c(cc4)cccc5)C(=O)NC2)c1ccccc1
• InChI: 1S/C26H28N4O2/c31-24(22-11-10-20-6-4-5-7-21(20)18-22)27-14-17-29-15-12-26(13-16-29)25(32)28-19-30(26)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2,(H,27,31)(H,28,32)
• InChI key: FAIFAFUXFFWVNQ-UHFFFAOYSA-N

Description

Biochem/physiol Actions

PLD2-selective, PH domain-targeting phospholipase D allosteric inhibitor with in vitro and in vivo efficacy.

VU0155072 is a PLD2-selective, PH domain-targeting allosteric phospholipase D inhibitor (human PLD2/PLD1 IC₅₀ = 140 nM/5.1 μM vs. PH/PX-deleted rat PLD1 IC₅₀ >20 μM; cellular PLD IC₅₀ = 110 nM/GFP-PLD2-overexpressing HEK293 vs. 1 μM/PMA-stimulated Calu-1 with predominant PLD1 activity) that selectively suppresses PLD2-dependent MDA-MB-231 invasion in cultures (by 60% in 48 hrs; 200 nM) and exhibits in vivo efficacy in murine models of DSS-induced colitis (4 mg/kg/day p.o.) and breast tumor-associated macrophages/neutrophils infiltration (75 μg/0.11 μL/kg/hr via osmotic pump). Use low concentrations (<5 μM) for cell treatment to avoid dual PLD1/2 inhibition.

Safety Information

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