| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
CRA-2059 targets human tryptase beta (rHTβ), a serine protease stored in mast cell granules and released during allergic reactions. Tryptase is involved in inflammation, tissue remodeling, and angiogenesis. CRA-2059 binds the active site of tryptase and inhibits its proteolytic activity. It is highly selective for tryptase over other serine proteases.
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|---|---|
| ln Vitro |
Tryptase is a trypsin-like serine protease that is the main protein found in human mast cell secretory granules. CRA-2059 has the potential for use in inflammatory bowel disease studies [1].
In vitro, CRA-2059 is a highly specific and selective tryptase inhibitor with a Ki of 620 pM for recombinant human tryptase beta (rHTβ). It is a selective and reversible inhibitor. It inhibits tryptase-mediated cleavage of substrates. It is used as a research tool for studying tryptase biology. |
| ln Vivo |
No independent in vivo efficacy data are widely reported for CRA-2059. As a research compound, it is primarily used for in vitro and cellular studies. In vivo characterization, including pharmacokinetics, efficacy, and toxicity, has not been extensively reported. Its therapeutic potential in animal models remains undetermined.
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| Enzyme Assay |
For non-cell enzyme assays, recombinant human tryptase beta is incubated with CRA-2059 and a chromogenic or fluorogenic peptide substrate. Protease activity is measured by absorbance or fluorescence. Ki values are calculated from dose-response curves. Selectivity is assessed against other serine proteases.
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| Cell Assay |
In cell assays, mast cells or cell lines are treated with CRA-2059. Tryptase activity in cell lysates or supernatants is measured by a fluorogenic assay. Cell viability is measured by MTT. Inflammatory mediator release is measured by ELISA.
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| Animal Protocol |
No established in vivo animal protocol exists for CRA-2059. If in vivo studies were conducted, the compound would be formulated in DMSO/PEG/saline and administered intraperitoneally or intravenously in rodent models of allergic inflammation. Endpoints would include tryptase inhibition in tissues and inflammatory responses.
|
| References |
| Molecular Formula |
C34H46N12O8
|
|---|---|
| Molecular Weight |
750.8046
|
| Exact Mass |
750.356
|
| CAS # |
256649-36-2
|
| Related CAS # |
CRA-2059 TFA;CRA-2059 hydrochloride
|
| PubChem CID |
68262826
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-2.3
|
| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
54
|
| Complexity |
1260
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C1CN(CCN1C(=O)NCC2=CC=C(C=C2)N=C(N)N)C(=O)O[C@@H]3COC4C3OC[C@H]4OC(=O)N5CCN(CC5)C(=O)NCC6=CC=C(C=C6)N=C(N)N
|
| InChi Key |
SDKLWMXBZVGUHI-XPALAHHGSA-N
|
| InChi Code |
InChI=1S/C34H46N12O8/c35-29(36)41-23-5-1-21(2-6-23)17-39-31(47)43-9-13-45(14-10-43)33(49)53-25-19-51-28-26(20-52-27(25)28)54-34(50)46-15-11-44(12-16-46)32(48)40-18-22-3-7-24(8-4-22)42-30(37)38/h1-8,25-28H,9-20H2,(H,39,47)(H,40,48)(H4,35,36,41)(H4,37,38,42)/t25-,26-,27?,28?/m1/s1
|
| Chemical Name |
[(3R,6R)-6-[4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazine-1-carbonyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazine-1-carboxylate
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.3319 mL | 6.6596 mL | 13.3191 mL | |
| 5 mM | 0.2664 mL | 1.3319 mL | 2.6638 mL | |
| 10 mM | 0.1332 mL | 0.6660 mL | 1.3319 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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