WRW4 is a specific formyl peptide receptor-like 1 (FPRL1) antagonist, inhibiting WKYMVm and FPRL1 with IC50 of 0.23 μM. WRW4 inhibits the increase in intracellular calcium caused by the FPRL1 agonist MMK-1, amyloid beta 42 (Abeta42) peptide, and F-peptide.

Physicochemical Properties

Molecular Formula	C61H65N15O6
Molecular Weight	1104.27
Exact Mass	1103.52
CAS #	878557-55-2
Related CAS #	WRW4 TFA
PubChem CID	49768327
Appearance	White to off-white solid powder
LogP	8.652
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	25
Heavy Atom Count	82
Complexity	2220
Defined Atom Stereocenter Count	6
SMILES	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N)N
InChi Key	IRJDOVLLPORVJP-WOAIKHIASA-N
InChi Code	InChI=1S/C61H65N15O6/c62-44(24-34-29-67-45-17-6-1-12-39(34)45)56(78)72-50(22-11-23-66-61(64)65)57(79)74-53(27-37-32-70-48-20-9-4-15-42(37)48)59(81)76-54(28-38-33-71-49-21-10-5-16-43(38)49)60(82)75-52(26-36-31-69-47-19-8-3-14-41(36)47)58(80)73-51(55(63)77)25-35-30-68-46-18-7-2-13-40(35)46/h1-10,12-21,29-33,44,50-54,67-71H,11,22-28,62H2,(H2,63,77)(H,72,78)(H,73,80)(H,74,79)(H,75,82)(H,76,81)(H4,64,65,66)/t44-,50-,51-,52-,53-,54-/m0/s1
Chemical Name	(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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	WRW4 totally prevents Abeta42 peptide uptake in human macrophages and also suppresses Abeta42 peptide-induced neutrophil superoxide generation and chemotactic movement. Through WKYMVm, WRW4 selectively prevents ERK phosphorylation downstream of FPRL1 [1].
References	[1]. Identification of peptides that antagonize formyl peptide receptor-like 1-mediated signaling. J Immunol. 2004;173(1):607-614.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (90.56 mM) H2O: < 0.1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (2.26 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (2.26 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (2.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.9056 mL	4.5279 mL	9.0558 mL
	5 mM	0.1811 mL	0.9056 mL	1.8112 mL
	10 mM	0.0906 mL	0.4528 mL	0.9056 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.