| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
Deuruxolitinib (CTP-543) is the hexa-deuterated form of Ruxolitinib, which is a marketed JAK1/JAK2 inhibitor. Deuruxolitinib is being studied in clhical trials for treating Alopecia Areata (a form of hair loss).
| Targets |
JAK1/2
|
|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of elements like carbon and hydrogen, mostly as tracers that affect quantification during drug development. It's possible that the pharmacokinetics and effects of medications cause mutagenesis to be a worry. [2]. Possible benefits of compounds with delayed generation: (1) The pharmacokinetic properties of the molecule, or the possible benefits of delayed generation compounds, may be prolonged by these substances. This may enhance the compound's tolerance, efficacy, and safety. (2) Boost intestinal absorption. Deuterated chemicals have the potential to decrease the level of first-pass renal function that is required in the intestinal wall and colon, hence increasing the amount of non-renal function medications that are able to reach their intended site of action. The ability to be bioavailable incredibly strong, active at low concentrations, and more tolerable. (3) Enhance the properties of metabolism. The production process may lessen toxicity or reactivity, leading to better medications. (4) Boost the security of medications. Deuterated substances Alternatively, they are harmless and can lessen or eliminate the negative effects of medication components. (5) Preserve medicinal qualities. According to earlier research, deuterated molecules should maintain biological efficacy and selectivity comparable to hydrogen analogs.
|
| Toxicity/Toxicokinetics |
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation No information is available on the clinical use of deuruxolitinib during breastfeeding. Because deuruxolitinib is 91.5% bound to plasma proteins, the amount in milk is likely to be low. The manufacturer recommends that breastfeeding be discontinued during deuruxolitinib therapy and for 1 week after the last dose. ◉ Effects in Breastfed Infants Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk Relevant published information was not found as of the revision date. |
| References |
| Molecular Formula |
C17H18N6
|
|---|---|
| Molecular Weight |
314.414315700531
|
| Exact Mass |
314.209
|
| CAS # |
1513883-39-0
|
| Related CAS # |
Ruxolitinib;941678-49-5;(Rac)-Ruxolitinib-d9;2469553-67-9
|
| PubChem CID |
72704611
|
| Appearance |
Typically exists as white to off-white solids at room temperature
|
| LogP |
2.1
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
23
|
| Complexity |
453
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
[2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)[2H]
|
| InChi Key |
HFNKQEVNSGCOJV-FBXGHSCESA-N
|
| InChi Code |
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2
|
| Chemical Name |
(3R)-3-(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
|
| Synonyms |
Deuruxolitinib; D8-ruxolitinib; CTP-543; Deuruxolitinib [USAN]; 1513883-39-0; 0CA0VSF91Y; UNII-0CA0VSF91Y;
|
| 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)
|
| 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
|
|---|---|
| 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 | 3.1806 mL | 15.9028 mL | 31.8056 mL | |
| 5 mM | 0.6361 mL | 3.1806 mL | 6.3611 mL | |
| 10 mM | 0.3181 mL | 1.5903 mL | 3.1806 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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