NDT 9513727

Name: NDT 9513727
Brand: Tocris Bioscience
SKU: 3333

Tocris Bioscience, part of Bio-Techne | Catalog # 3333

Citations (6)

COA / SDS

Potent, selective human C5a receptor negative allosteric modulator (NAM)

Key Product Details

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)
Molecular Weight:	573.68

View Full Technical Details for NDT 9513727

Technical Data
Citations

Biological Activity for NDT 9513727

NDT 9513727 is a 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 for NDT 9513727

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 for NDT 9513727

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 for NDT 9513727

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

Preparing Stock Solutions for NDT 9513727

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.

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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References for NDT 9513727

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

Robertson Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature 2018 PMID: 29300009
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.Pharmacol.Exp.Ther. 2008 PMID: 18753409