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PF-4693627 (PF4693627) is a novel and potent mPGES-1 (microsomal prostaglandin E synthase-1) inhibitor with the potential for the treatment of inflammation caused by osteoarthritis (OA) and rheumatoid arthritis (RA), inhibiting mPGES-1 with IC50 of 3 nM.
| ln Vitro |
In HWB-1483 and human fetal fibroblasts, respectively, PF-4693627 suppresses mPGES-1 with an IC50 of 180 and 6 nM [1]. In experiments using human whole blood (HWB) cells activated with lipopolysaccharide (LPS) [1], PF-4693627 exhibits high activity (IC50=109 nM).
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| ln Vivo |
PF-4693627 (10 mg/kg; oral) significantly reduced PGE2 generation in a guinea pig carrageenan-stimulated air sac model by 63% as compared to the vehicle control [1]. In Sprague-Dawley rats, PF-4693627 (1.0 mg/kg; iv) has a moderate half-life (t1/2=3.7 h) and good bioavailability (59%) [1].
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| Animal Protocol |
Animal/Disease Models: Guinea pig air sac inflammation model stimulated by carrageenan [1]
Doses: 10 mg/kg Route of Administration: Oral Experimental Results:63% PGE2 inhibition. Animal/Disease Models: SD (SD (Sprague-Dawley)) rat[1]. Doses: 1.0 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: intravenous (iv) (iv)injection Experimental Results: clearance (CL), volume of distribution (Vdss), t1/2, mean residence time (MRT) and bioavailability (F) It is 12 mL/min/kg, 3.0 L/kg, 3.7 hrs (hrs (hours)), 4.42 hrs (hrs (hours)), 59%. |
| References |
| Molecular Formula |
C26H29CL2N3O3
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|---|---|
| Molecular Weight |
502.436
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| Exact Mass |
501.158
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| CAS # |
1312815-93-2
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| PubChem CID |
53252516
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.659
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| LogP |
4.84
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
34
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| Complexity |
684
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1C[C@@H](C[C@H](C1)NC(=O)C2CCN(CC2)C3=NC4=C(O3)C=C(C(=C4)Cl)C5=CC=C(C=C5)Cl)CO
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| InChi Key |
CPDNPVKDQXLYHO-JXFKEZNVSA-N
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| InChi Code |
InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1
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| Chemical Name |
1-[5-chloro-6-(4-chlorophenyl)-1,3-benzoxazol-2-yl]-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
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| Synonyms |
PF4693627 PF 4693627 PF-4693627
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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 : ~100 mg/mL (~199.03 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 | 1.9903 mL | 9.9514 mL | 19.9029 mL | |
| 5 mM | 0.3981 mL | 1.9903 mL | 3.9806 mL | |
| 10 mM | 0.1990 mL | 0.9951 mL | 1.9903 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.
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