Mocravimod HCl (KRP203) is a novel and potent sphingosine 1-phosphate receptor type 1 agonist, acting as an immunosuppressant that ameliorates atherosclerosis in LDL-R-/- mice. KRP-203 reduces the autoimmune myocarditis in rats. In allografts of rat hearts, KRP-203 plus cyclosporine extended graft survival and eliminated transplant vasculopathy.

Physicochemical Properties

Molecular Formula	C24H27CL2NO3S
Molecular Weight	480.44708
Exact Mass	479.108
Elemental Analysis	C, 60.00; H, 5.66; Cl, 14.76; N, 2.92; O, 9.99; S, 6.67
CAS #	509088-69-1
Related CAS #	Mocravimod; 509092-16-4
PubChem CID	11155873
Appearance	White to off-white solid powder
Boiling Point	657.1ºC at 760 mmHg
Melting Point	199-200ºC (DEC.)
Flash Point	351.2ºC
LogP	6.187
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	31
Complexity	487
Defined Atom Stereocenter Count	0
SMILES	OCC(CCC1=CC=C(SC2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1Cl)(N)CO.[H]Cl
InChi Key	MYIFLDFUXIHOCJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H26ClNO3S.ClH/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18;/h1-10,13-14,27-28H,11-12,15-17,26H2;1H
Chemical Name	2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol;hydrochloride
Synonyms	MOCRAVIMOD HYDROCHLORIDE; KRP-203 HCl; KRP-203; KRP203; KRP 203; KRP-203 hydrochloride
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

Targets	S1PR1
ln Vivo	Mocravimod hydrochloride (KRP-203) reduces atherosclerosis in LDL-R/ mice [1].
Animal Protocol	Inbred male DA (MHC haplotype: RT1a) rats 0.1 and 1 mg/kg Orally; daily; for 100 days
References	[1]. KRP-203, sphingosine 1-phosphate receptor type 1 agonist, ameliorates atherosclerosis in LDL-R-/- mice. Arterioscler Thromb Vasc Biol. 2013 Jul;33(7):1505-12. [2]. KRP-203, a novel synthetic immunosuppressant, prolongs graft survival and attenuates chronicrejection in rat skin and heart allografts. Circulation. 2005 Jan 18;111(2):222-9. Epub 2005 Jan 10.
Additional Infomation	Mocravimod Hydrochloride is the hydrochloride salt form of mocravimod, a sphingosine 1-phosphate (S1P) receptor agonist, with potential immunosuppressive activity. Upon administration of mocravimod, this agent binds to S1P receptors on lymphocytes, which prevents binding of serum S1P to S1P receptors and leads to S1P receptor internalization. This reduces the number of circulating blood leukocytes and accelerates lymphocyte homing into peripheral lymph nodes, thereby preventing their infiltration into peripheral inflammatory sites. This agent also decreases the production of inflammatory cytokines by lymphocytes, such as interferon gamma (IFN-g), interleukin-12 (IL-12), and tumor necrosis factor (TNF).

Solubility Data

Solubility (In Vitro)

DMSO: ~200 mg/mL (~416.3 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.20 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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 (5.20 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 (5.20 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	2.0814 mL	10.4069 mL	20.8138 mL
	5 mM	0.4163 mL	2.0814 mL	4.1628 mL
	10 mM	0.2081 mL	1.0407 mL	2.0814 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.