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25mg |
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Purity: ≥98%
Etrasimod (formerly APD334; APD3-34; Velsipity) is a potent, centrally bioavailable, functional antagonists of the S1P1 receptor for use as next generation therapeutics for treating multiple sclerosis (MS) and other autoimmune diseases. APD334 has a PK/PD profile and, in a number of preclinical species, produces strong lymphocyte lowering at comparatively low plasma concentrations. APD334 was found to have a notable central exposure and was effective in both a rat collagen-induced arthritis (CIA) model and a mouse experimental autoimmune encephalomyelitis (EAE) model of multiple sclerosis. Etrasimod (Velsipity) was approved in 2023 by FDA for treating Ulcerative colitis
Targets |
S1P1 ( IC50 = 1.88 nM )
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ln Vitro |
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ln Vivo |
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Animal Protocol |
Rats: Male Sprague-Dawley rats are used to assess the effects of APD334 on blood lymphopenia. Male rats are administered an oral dose of APD334 formulated in 0.5% methylcellulose (MC) in water at a rate of 0 mg/kg (vehicle only), 0.03 mg/kg (mice only), 0.1, 0.3, or 1 mg/kg. Samples of rat blood are taken 0, 1, 3, 5, 8, 16, 24, 32, 48, and 72 hours after the dose[1].
Mice: Male BALB/c mice are used to study the effects of APD334 on blood lymphopenia. In summary, APD334 is administered orally to male mice at doses of 0 (vehicle only), 0.03 (mice only), 0.1, 0.3, or 1 mg/kg when formulated in 0.5% methylcellulose (MC) in water. At 0, 1, 3, 5, 8, 16, 24, and 32 hours after administration, mouse blood samples are collected[1]. |
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References |
Molecular Formula |
C26H26F3NO3
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Molecular Weight |
457.49321
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Exact Mass |
457.19
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Elemental Analysis |
C, 68.26; H, 5.73; F, 12.46; N, 3.06; O, 10.49
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CAS # |
1206123-37-6
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Related CAS # |
1206123-37-6; 1206123-97-8 (arginine)
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Appearance |
Solid powder
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SMILES |
C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CC[C@@H]5CC(=O)O)C(F)(F)F
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InChi Key |
MVGWUTBTXDYMND-QGZVFWFLSA-N
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InChi Code |
InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
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Chemical Name |
2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
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Synonyms |
APD 334; APD334; APD-334; Etrasimod; Velsipity
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HS Tariff Code |
2934.99.9001
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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)
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Solubility (In Vitro) |
DMSO: ≥ 28 mg/mL (~61.2 mM)
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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
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.1858 mL | 10.9292 mL | 21.8584 mL | |
5 mM | 0.4372 mL | 2.1858 mL | 4.3717 mL | |
10 mM | 0.2186 mL | 1.0929 mL | 2.1858 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.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
NCT04607837 | Active Recruiting |
Drug: Etrasimod Drug: Placebo |
Ulcerative Colitis | Pfizer | August 24, 2022 | Phase 2 |
NCT05956002 | Active Recruiting |
Drug: Etrasimod Mini Tab in water Drug: Etrasimod Mini Tab in yogurt |
Healthy Participants | Pfizer | September 4, 2023 | Phase 1 |
NCT04176588 | Recruiting | Drug: Etrasimod Drug: Placebo |
Moderately to Severely Active Ulcerative Colitis |
Everstar Therapeutics Limited | September 10, 2019 | Phase 3 |
NCT05732454 | Recruiting | Drug: etrasimod Drug: placebo |
Atopic Dermatitis Eczema |
Pfizer | January 18, 2023 | Phase 2 Phase 3 |
NCT05287126 | Recruiting | Drug: Etrasimod | Ulcerative Colitis | Pfizer | December 16, 2022 | Phase 2 |