NDT 9513727
- Product Name
- NDT 9513727
- CAS No.
- 439571-48-9
- Chemical Name
- NDT 9513727
- Synonyms
- NDT13727;NDT 9513727;N,N-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-Imidazole-5-methanamine;1H-Imidazole-5-methanamine, N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-;Bis[(2H-1,3-benzodioxol-5-yl)methyl][(1-butyl-2,4-diphenyl-1H-imidazol-5-yl)methyl]amine
- CBNumber
- CB82603001
- Molecular Formula
- C36H35N3O4
- Formula Weight
- 573.68
- MOL File
- 439571-48-9.mol
NDT 9513727 Property
- Boiling point:
- 723.1±62.0 °C(Predicted)
- Density
- 1.23±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- solubility
- DMSO: 100 mM; Ethanol: 100 mM
- form
- A solid
- pka
- 6.69±0.50(Predicted)
- color
- White to yellow
- InChIKey
- ITACCRHKSPSKKL-UHFFFAOYSA-N
- SMILES
- CCCCN1C(CN(CC2=CC=C3OCOC3=C2)CC4=CC5=C(C=C4)OCO5)=C(N=C1C6=CC=CC=C6)C7=CC=CC=C7
Safety
- WGK Germany
- WGK 3
- Storage Class
- 11 - Combustible Solids
N-Bromosuccinimide Price
- Product number
- 24448
- Product name
- NDT 9513727
- Purity
- ≥98%
- Packaging
- 1mg
- Price
- $32
- Updated
- 2024/03/01
- Product number
- 24448
- Product name
- NDT 9513727
- Packaging
- 5mg
- Price
- $116
- Updated
- 2024/03/01
- Product number
- 24448
- Product name
- NDT 9513727
- Packaging
- 10mg
- Price
- $199
- Updated
- 2024/03/01
- Product number
- 3333
- Product name
- NDT9513727
- Purity
- ≥98%(HPLC)
- Packaging
- 10
- Price
- $278
- Updated
- 2021/12/16
- Product number
- 3333
- Product name
- NDT9513727
- Purity
- ≥98%(HPLC)
- Packaging
- 50
- Price
- $1170
- Updated
- 2021/12/16
NDT 9513727 Chemical Properties,Usage,Production
Description
NDT 9513727 is a competitive antagonist of the C5a receptor (C5aR; IC50 = 11.6 nM for human recombinant receptors) that has inverse agonist activity in a GTPγ[35S] assay. It is selective for human recombinant over rat and mouse recombinant C5aRs (IC50 = >10 μM for both) but does have activity at macaque and gerbil receptors (IC50s = 7.3 and 6.4 nM, respectively). NDT 9513727 inhibits degranulation in U937 cells stimulated with C5a (IC50 = 7.1 nM). It also prevents neutropenia induced by human recombinant C5a in gerbils (ED50 = 2.2 mg/kg) and in cynomolgus macaques when administered at doses of 5 and 25 mg/kg.
Uses
NDT 9513727 is a selective, and potent inverse agonist of the human C5aR. NDT 9513727 has been shown to effectively inhibit C5a-induced neutropenia in gerbil and cynomolgus macaque in vivo. These results suggest that NDT 9513727 is a promising candidate for the treatment of human inflammatory diseases.
in vivo
NDT 9513727 (3-30 mg/kg; p.o.) exhibits a dose-dependent inhibition of hC5a-induced neutropenia[1].
NDT 9513727 exhibits moderate oral bioavailability (rat 73%, monkey 26%) and Cmax (rat 5.98 μM, monkey 830 nM) following oral administration (rat 50, monkey 25.2 mg/kg)[1].
NDT 9513727 exhibits moderate plasma elimination half-lives (rat 4.8, monkey 7.9 h) due to low plasma clearance (1.4 L/h/kg and 3.8 L/h/kg respectively) following oral administration (rat 50, monkey 25.2 mg/kg)[1].
| Animal Model: | Six-week-old Mongolian gerbils[1] |
| Dosage: | 1 mg/kg, 3 mg/kg, 10 mg/kg, 30 mg/kg |
| Administration: | Oral administration |
| Result: | Significantly inhibited hC5a-induced neutropenia at 3 mg/kg, 10 mg/kg, 30 mg/kg. |
| Animal Model: | Rat[1] |
| Dosage: | 50 mg/kg (Pharmacokinetic Analysis) |
| Administration: | Oral administration |
| Result: | Oral bioavailability (73%), Cmax (5.98 μM), T1/2 (4.8 h). |
| Animal Model: | Monkey[1] |
| Dosage: | 25.2 mg/kg (Pharmacokinetic Analysis) |
| Administration: | Oral administration |
| Result: | Oral bioavailability (26%), Cmax (830 nM), T1/2 (7.9 h). |
storage
Store at +4°C
References
[1] NATHAN ROBERTSON. Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727[J]. Nature, 2018, 553 7686: 111-114. DOI: 10.1038/nature25025
[2] ROBBIN M BRODBECK. Identification and characterization of NDT 9513727 [N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-imidazole-5-methanamine], a novel, orally bioavailable C5a receptor inverse agonist.[J]. Journal of Pharmacology and Experimental Therapeutics, 2008, 327 3: 898-909. DOI: 10.1124/jpet.108.141572
NDT 9513727 Preparation Products And Raw materials
Raw materials
Preparation Products
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