| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
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| ln Vitro |
Based on functional assay data, convergent predictions of effective free plasma concentrations and rapid on/fast off of rhH4R by Adriforant were observed when the compound was tested and observed for H4R, with binding Ki=2.4 nM and functional Ki=1.56 nM (compound 13). Actin polymerization is measured in vitro using natively isolated human eosinophils, and the IC50 is 1.16 nM. The suggested concentration is 12 nM if it is assumed that 10-fold the IC50 is needed to achieve >90% receptor occupancy (and thus almost complete inhibition of the response). The whole blood GAFS assay data show that at a total blood concentration of 30 nM (corrected for PPB and blood partitioning equivalent to approximately 10 nM free), imetit-induced shape changes are completely blocked. Ceff/Cmin concentrations between 10–15 nM are utilized for safety margin computations and dose prediction [1].
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| References |
| Molecular Formula |
C13H25CLN6O
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|---|---|
| Molecular Weight |
316.830200910568
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| Exact Mass |
370.12
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| CAS # |
2096455-90-0
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| PubChem CID |
131801117
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
295
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N([C@@H]1CCN(C2=NC(N)=NC(NCC3CC3)=C2)C1)C.Cl.O
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| InChi Key |
ZAZAFXLCZSALFI-FYBBWCNBSA-N
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| InChi Code |
InChI=1S/C13H22N6.3ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;;;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);3*1H/t10-;;;/m1.../s1
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| Chemical Name |
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;trihydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O : ~100 mg/mL (~269.01 mM)
DMSO : ≥ 83.33 mg/mL (~224.16 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (269.01 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1563 mL | 15.7813 mL | 31.5627 mL | |
| 5 mM | 0.6313 mL | 3.1563 mL | 6.3125 mL | |
| 10 mM | 0.3156 mL | 1.5781 mL | 3.1563 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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