| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
NDT9513727 targets the C5a receptor (C5aR, also known as CD88), a G protein-coupled receptor activated by the complement fragment C5a. C5a is a potent inflammatory mediator involved in chemotaxis, degranulation, and oxidative burst of immune cells. By acting as a competitive inverse agonist, NDT9513727 blocks C5a binding to C5aR and stabilizes the receptor in an inactive conformation. This mechanism underlies its anti-inflammatory effects.
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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].
In vitro, NDT9513727 potently inhibits human recombinant C5aR with an IC₅₀ of 11.6 nM. It acts as a competitive inverse agonist. The compound shows selectivity for C5aR over other complement receptors. It is a potent and selective C5aR inverse agonist. Detailed in vitro data are available in the primary literature. The compound is a valuable tool for studying C5a-mediated inflammatory signaling. |
| 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].
In vivo, NDT9513727 is orally active. It inhibits C5a-induced neutropenia in gerbil and cynomolgus macaque. The compound can be used for the study of human inflammatory diseases. Its oral bioavailability enables convenient administration for in vivo studies. NDT9513727 is a valuable tool for studying C5aR function in inflammatory and immune disorders. |
| Enzyme Assay |
In vitro receptor binding and functional assays for NDT9513727 typically use membrane preparations from cells expressing human C5aR. Radioligand binding assays use [¹²⁵I]-C5a or [³H]-C5a as tracer. Membranes are incubated with radioligand and varying concentrations of NDT9513727 in assay buffer (50 mM HEPES, pH 7.4, 5 mM MgCl₂, 1 mM CaCl₂, 0.5% BSA) at room temperature for 1-2 hours. Bound radioactivity is collected by filtration and measured by scintillation counting. Functional assays measure C5a-induced calcium mobilization or GTPγS binding. IC₅₀ and Ki values are calculated from dose-response curves.
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| Cell Assay |
For cell-based assays, cells expressing human C5aR (e.g., CHO or HEK-293 transfectants) are cultured in DMEM with 10% FBS and selection antibiotics. Cells are seeded in 96-well plates and loaded with calcium-sensitive dye (e.g., Fluo-4) for 30-60 minutes. Cells are pre-treated with NDT9513727 at various concentrations (0.001-10 μM) for 15-30 minutes, followed by C5a stimulation. Calcium flux is measured using a fluorescence plate reader. IC₅₀ values for antagonist activity are calculated. Cell viability is assessed by standard assays. All treatments include vehicle controls and are performed in triplicate.
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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). In vivo, NDT9513727 is typically administered orally to rodents or non-human primates. The compound is formulated in a suitable vehicle such as 0.5% methylcellulose or PEG-based solutions. For C5a-induced neutropenia models, animals are dosed at various regimens (e.g., 1-10 mg/kg) prior to C5a challenge. Blood samples are collected for neutrophil count measurement. For inflammatory disease models, endpoints include inflammatory cytokine levels, tissue histology, and clinical scoring. Blood and tissue samples are collected for pharmacokinetic and pharmacodynamic analysis. All procedures follow institutional animal care guidelines. |
| ADME/Pharmacokinetics |
NDT9513727 (MW 573.68, C₃₆H₃₅N₃O₄) is an orally active C5aR inverse agonist. It inhibits human C5aR with an IC₅₀ of 11.6 nM. The compound shows a purity of ≥98% (HPLC). It is typically stored at +4°C. Detailed pharmacokinetic parameters are available from preclinical studies. The compound is designed for research applications in inflammation and immunology.
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| Toxicity/Toxicokinetics |
Toxicology data for NDT9513727 are limited in publicly available sources. As a C5aR inverse agonist, potential effects on complement-mediated immune responses should be considered. The compound is for research use only and not intended for human therapeutic applications. Standard safety pharmacology and toxicology studies would be required for therapeutic development. The compound should be handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
NDT9513727 is a research-grade C5aR inverse agonist for studying complement-mediated inflammation. Its primary applications include immunology, inflammation research, and drug discovery. The compound is not approved for clinical use and has not entered clinical trials. It is commercially available from various chemical suppliers for research purposes only. Its mechanism involves competitive inverse agonism of C5aR, blocking C5a-mediated inflammatory signaling.
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| Molecular Formula |
C36H35N3O4
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| 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
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| 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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~174.31 mM)
Ethanol : ~57 mg/mL (~99.36 mM) |
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| 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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