NDT 9513727

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Cat.No. 3333 - NDT 9513727 | C36H35N3O4 | CAS No. 439571-48-9
Description: Potent, selective human C5a receptor negative allosteric modulator (NAM)
Chemical Name: N,N-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-Imidazole-5-methanamine
Purity: ≥98% (HPLC)
Datasheet
Citations (1)
Reviews
Literature (2)

Biological Activity

Potent C5a receptor (C5aR) negative allosteric modulator (NAM) (IC50 = 11.6 nM); selective for human C5aR (IC50 values for rat and mouse C5aR are > 10 μM). Exhibits inverse agonist pharmacokinetics. Blocks degranulation response in C5a-stimulated U937 cells (IC50 = 7.1 nM). Exhibits selectivity for primate and gerbil receptor over other species. Orally bioavailable.

Compound Libraries

NDT 9513727 is also offered as part of the Tocriscreen 2.0 Max and Tocriscreen Antiviral Library. Find out more about compound libraries available from Tocris.

Technical Data

M. Wt 573.68
Formula C36H35N3O4
Storage Store at +4°C
Purity ≥98% (HPLC)
CAS Number 439571-48-9
PubChem ID 10210160
InChI Key ITACCRHKSPSKKL-UHFFFAOYSA-N
Smiles CCCCN1C(C6=CC=CC=C6)=NC(C7=CC=CC=C7)=C1CN(CC3=CC(OCO5)=C5C=C3)CC2=CC=C(OCO4)C4=C2

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

Tocris products are intended for laboratory research use only, unless stated otherwise.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 57.37 100
ethanol 57.37 100

Preparing Stock Solutions

The following data is based on the product molecular weight 573.68. Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.74 mL 8.72 mL 17.43 mL
5 mM 0.35 mL 1.74 mL 3.49 mL
10 mM 0.17 mL 0.87 mL 1.74 mL
50 mM 0.03 mL 0.17 mL 0.35 mL

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Product Datasheets

Certificate of Analysis / Product Datasheet
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References

References are publications that support the biological activity of the product.

Brodbeck et al (2008) 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.Pharmacol.Exp.Ther. 327 898 PMID: 18753409

Robertson (2018) Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature 553 111 PMID: 29300009


If you know of a relevant reference for NDT 9513727, please let us know.

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Keywords: NDT 9513727, NDT 9513727 supplier, potent, complement, C5a, receptor, C5aR, antagonists, competitive, inverse, agonists, human, orally, active, NDT9513727, NAM, negative, allostreic, modulators, Complement, 3333, Tocris Bioscience

1 Citation for NDT 9513727

Citations are publications that use Tocris products. Selected citations for NDT 9513727 include:

Liu (2018) Orthosteric and allosteric action of the C5a receptor antagonists. Nat Struct Mol Biol 25 472 PMID: 29867214


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