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| 10mg |
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| 25mg |
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Purity: ≥98%
Cathepsin Inhibitor 1 (CTS-IN-1) is a novel and potent inhibitor of Cathepsin (L, L2, S, K, B) with the potential to be used in the treatment of osteoarthritis. With respective pIC50 values of 7.9, 6.7, 6.0, 5.5, and 5.2, it inhibits Cathepsin (L, L2, S, K, and B). With underlying bone damage and articular cartilage loss leading to joint instability and pain, osteoarthritis is now understood to be a chronic degenerative disease. One possible target for intervention in the treatment of osteoarthritis is the lysosomal cysteine protease2 Cathepsin L (CatL). Major components of articular cartilage, such as aggrecan4 and type II collagen, are proteoglycans that can be degraded by CatL once it is secreted into the extracellular matrix.
| Targets |
Cathepsin L (pIC50 = 7.9); Cathepsin L2 (pIC50 = 6.7); Cathepsin S (pIC50 = 6); Cathepsin K (pIC50 = 5.5); Cathepsin B (pIC50 = 5.2)
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| ln Vitro |
Cathepsin Inhibitor 1 (compound 25) is a cathepsin (L, L2, S, K, B) inhibitor with pIC50 values of 7.9, 6.7, 6.0, 5.5, and 5.2, in that order.
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| ln Vivo |
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| Animal Protocol |
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| References |
| Molecular Formula |
C20H24CLN5O2
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| Molecular Weight |
401.89
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| Exact Mass |
401.162
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| Elemental Analysis |
C, 59.77; H, 6.02; Cl, 8.82; N, 17.43; O, 7.96
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| CAS # |
225120-65-0
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| Related CAS # |
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| PubChem CID |
44224135
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| Appearance |
White to off-white solid powder
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| Density |
1.23±0.1 g/cm3 (20 ºC 760 Torr)
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| LogP |
3.766
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
28
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| Complexity |
612
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C1=NN(C(C(N[C@H](C(NCC#N)=O)CC2=CC(Cl)=CC=C2)=O)=C1)C)C
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| InChi Key |
MZRVIHRERYCHBL-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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| Chemical Name |
5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
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| Synonyms |
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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 |
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| 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) |
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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 | 2.4882 mL | 12.4412 mL | 24.8824 mL | |
| 5 mM | 0.4976 mL | 2.4882 mL | 4.9765 mL | |
| 10 mM | 0.2488 mL | 1.2441 mL | 2.4882 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.
Products are for research use only; We do not sell to patients
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