| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| Targets |
PKCθ 8 nM (IC50)
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|---|---|
| ln Vitro |
CC-90005 demonstrates the exceptional selectivity of CC-90005, with IC50s greater than 3 μM for every other family member[1]. CYP2C9 (IC50=8 μM) and CYP2C19 (IC50=5.9 μM) in human liver microsomes are both moderately inhibited by CC-90005[1]. In human PBMCs containing LRS_WBC, CC-90005 suppresses IL-2 expression, with an IC50 of 0.15 μM[1]. PBMCs treated with CC-90005 (1–10 μM; 24 h) exhibit 51% and 88% inhibition, respectively, of T cell proliferation[1].
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| ln Vivo |
In a model of chronic T cell activation, CC-90005 (3-30 mg/kg; po twice daily for 4 days) significantly reduces the size of the popliteal lymph node (PLN)[1]. A single po dose of CC-90005 (100 mg/kg) significantly reduces the release of IL-2 from the spleen and plasma by 54% and 51%, respectively[1]. In rats and dogs, respectively, CC-90005 demonstrates a respectable oral bioavailability (66 and 46%) and Cmax (1.18 and 1.2 μM) after oral administration (10 and 3 mg/kg)[1]. In rats and dogs, respectively, CC-90005 displays the mean residence time (0.52 and 2.0 h), CL (69.1 and 20.5 mL/min/kg), and Vss (2.11 and 2.44 L/kg) after intravenous administration (2 and 1 mg/kg).
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| Animal Protocol |
Animal/Disease Models: B6D2F1 mice (20 g) were injected with allogeneic spleen cells
Doses: 3, 10, 30 mg/kg Route of Administration: Po twice (two times) daily for 4 days Experimental Results: Inhibited PLN size by 45 and 38% at doses of 10 and 30 mg/kg, respectively. |
| References |
| Molecular Formula |
C21H27F2N7O2
|
|---|---|
| Molecular Weight |
447.481590509415
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| Exact Mass |
447.219
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| CAS # |
1799574-70-1
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| PubChem CID |
118162109
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| Appearance |
White to off-white solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
32
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| Complexity |
659
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| Defined Atom Stereocenter Count |
2
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| SMILES |
FC(C)(COC1C(=CN=CN=1)CNC1=NC=C(C#N)C(=N1)N[C@@H]1CC[C@@H](C(C)(C)C1)O)F
|
| InChi Key |
FMKGJQHNYMWDFJ-CVEARBPZSA-N
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| InChi Code |
InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1
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| Chemical Name |
2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
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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 : 62.5 mg/mL (139.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2347 mL | 11.1737 mL | 22.3474 mL | |
| 5 mM | 0.4469 mL | 2.2347 mL | 4.4695 mL | |
| 10 mM | 0.2235 mL | 1.1174 mL | 2.2347 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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