PPA-904 is a specific phenothiazine photosensitizer (photosensitizer) used in photodynamic research (PDT) research, especially topical application in animal models of cutaneous leishmaniasis.

Physicochemical Properties

Molecular Formula	C28H42BRN3S
Molecular Weight	532.62
Exact Mass	531.228
CAS #	30189-85-6
PubChem CID	11713505
Appearance	Typically exists as solid at room temperature
LogP	5.547
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Heavy Atom Count	33
Complexity	634
Defined Atom Stereocenter Count	0
SMILES	[Br-].S1C2=C(C=CC(=C2)N(CCCC)CCCC)N=C2C=C/C(/C=C12)=[N+](/CCCC)\CCCC
InChi Key	LLMPBOPIZQTTLB-UHFFFAOYSA-M
InChi Code	InChI=1S/C28H42N3S.BrH/c1-5-9-17-30(18-10-6-2)23-13-15-25-27(21-23)32-28-22-24(14-16-26(28)29-25)31(19-11-7-3)20-12-8-4;/h13-16,21-22H,5-12,17-20H2,1-4H3;1H/q+1;/p-1
Chemical Name	dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium;bromide
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, avoid exposure to moisture.
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 Vivo

PPA904-PDT offers dose-dependent immunomodulatory efflux of IL-12p70 production. In mice receiving PPA904-PDT, this mechanism might aid in promoting quicker healing [1].

References

[1]. Akilov OE,et al. Optimization of topical photodynamic therapy with 3,7-bis(di-n-butylamino)phenothiazin-5-ium bromide for cutaneous leishmaniasis. Lasers Surg Med. 2009 Jul;41(5):358-65. [2]. Akilov OE, et al. Photodynamic therapy for cutaneous leishmaniasis: the effectiveness of topical phenothiaziniums in parasite eradication and Th1 immune response stimulation. Photochem Photobiol Sci. 2007 Oct;6(10):1067-75. [3]. Morley S, et al. Phase IIa randomized, placebo-controlled study of antimicrobial photodynamic therapy in bacterially colonized, chronic leg ulcers and diabetic foot ulcers: a new approach to antimicrobial therapy. Br J Dermatol. 2013 Mar;168(3):617-24

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~46.94 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.91 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8775 mL	9.3876 mL	18.7751 mL
	5 mM	0.3755 mL	1.8775 mL	3.7550 mL
	10 mM	0.1878 mL	0.9388 mL	1.8775 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.