| Size | Price | Stock | Qty |
|---|---|---|---|
| 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 |
The IC50 in different cell types for NDT 9513727 is 1.1 to 9.2 nM. This means that it inhibits C5a-stimulated reactions such as guanosine 5'-3-O-(thio)triphosphate binding, Ca2+ challenge, burst oxidation, degranulation, cell surface CD11b expression, and chemotaxis[1].
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|---|---|
| ln Vivo |
The inhibitory impact of NDT 9513727 (3-30 mg/kg; sidewall) on hC5a-induced neutropenia is dose-dependent [1]. Modulator sidewall bioavailability (dose 73%, monkey 26%) and post-sediment Cmax (sediment 5.98 μM, monkey 830 nM) (sediment 50, monkey 25.2 mg/kg) are characteristics of NDT 9513727 [1]. Due to post-sediment flow chart clearance (low 1.4 L/h/kg and 3.8 L/h/kg, respectively) (50 accumulation, monkey 25.2 mg/kg) and decline period (4.8 hours for stacks, 7.9 hours for monkeys), NDT 9513727 shows adaptive elimination [1].
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| Animal Protocol |
Animal/Disease Models: Sixweeks old gerbil[1]
Doses: 1 mg/kg, 3 mg/kg, 10 mg/kg, 30 mg/kg Route of Administration: Oral Experimental Results:3 mg/kg, 10 mg Dramatically inhibited hC5a Induced neutropenia/kg, 30 mg/kg. Animal/Disease Models: Rat[1] Doses: 50 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: Oral Experimental Results: Oral bioavailability (73%), Cmax (5.98 μM), T1/2 (4.8 h) . Animal/Disease Models: Monkey[1] Doses: 25.2 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: Oral Experimental Results: Oral bioavailability (26%), Cmax (830 nM), T1/2 (7.9 h). |
| References |
| Molecular Formula |
C36H35N3O4
|
|---|---|
| Molecular Weight |
573.680809259415
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| Exact Mass |
573.263
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| CAS # |
439571-48-9
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| PubChem CID |
10210160
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| Appearance |
White to yellow solid powder
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| LogP |
7.677
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
43
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| Complexity |
816
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ITACCRHKSPSKKL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3
|
| Chemical Name |
N,N-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-Imidazole-5-methanamine
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| Synonyms |
NDT9513727 NDT-9513727 NDT 9513727
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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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~174.31 mM)
Ethanol : ~57 mg/mL (~99.36 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.36 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 25.0 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: 2.5 mg/mL (4.36 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (4.36 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 | 1.7431 mL | 8.7157 mL | 17.4313 mL | |
| 5 mM | 0.3486 mL | 1.7431 mL | 3.4863 mL | |
| 10 mM | 0.1743 mL | 0.8716 mL | 1.7431 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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