VU534 is a NAPE-PLD agonist with EC50 of 0.30 μM. VU534 is a dual (bifunctional) inhibitor of FAAH and sEH (IC50 1.2 μM). VU534 NAPE-PLD-dependently enhances macrophage efferocytosis. VU534 may be utilized in cardiometabolic disease study.

Physicochemical Properties

Molecular Formula	C21H22FN3O3S2
Molecular Weight	447.546085834503
Exact Mass	447.11
Elemental Analysis	C, 56.36; H, 4.96; F, 4.25; N, 9.39; O, 10.72; S, 14.33
CAS #	923509-20-0
PubChem CID	16831625
Appearance	White to off-white solid powder
LogP	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	30
Complexity	716
Defined Atom Stereocenter Count	0
SMILES	N1(S(C2=CC=C(F)C=C2)(=O)=O)CCC(C(NC2=NC3=CC(C)=CC(C)=C3S2)=O)CC1
InChi Key	RLHUIVPGYWWIQZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H22FN3O3S2/c1-13-11-14(2)19-18(12-13)23-21(29-19)24-20(26)15-7-9-25(10-8-15)30(27,28)17-5-3-16(22)4-6-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24,26)
Chemical Name	N-(5,7-dimethylbenzo[d]thiazol-2-yl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
Synonyms	VU534; VU-534; VU 534
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro

HepG2 and Raw264.7 cell lines have shown less cytotoxicity when exposed to VU534 (up to 30 μM, 24 h) [1]. In Raw264.7 cells, VU534 (3~30 μM, 1 h) can raise NAPE-PLD activity [1]. HepG2 cells' NAPE-PLD activity can be elevated by VU534 for one hour, with an EC50 value of 1.5 μM[1]. VU534 (5 μM, 1 h) did not reverse the LEI – 401-fold rise, but it did raise NAPE-PLD activity by 1.5 times. When Napepld is knocked out, VU534 (10 μM, 6 h) cannot significantly increase cell death in bone marrow-derived macrophages [1].

References

[1]. Small Molecule Activation of NAPE-PLD Enhances Efferocytosis by Macrophages. ACS Chem. Biol. 2023, 18, 8, 1891–1904.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~55.86 mM)

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.2344 mL	11.1719 mL	22.3439 mL
	5 mM	0.4469 mL	2.2344 mL	4.4688 mL
	10 mM	0.2234 mL	1.1172 mL	2.2344 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.