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SML2278

Sigma-Aldrich

NDT9513727

≥98% (HPLC)

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Synonym(s):
N,N-bis(1,3-Benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1Himidazole-5-methanamine, NDT-9513727
Empirical Formula (Hill Notation):
C36H35N3O4
CAS Number:
439571-48-9
Molecular Weight:
573.68
MDL number:
MFCD22683794
UNSPSC Code:
12352200
NACRES:
NA.77

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

CCCCN1C(CN(CC2=CC=C3OCOC3=C2)CC4=CC5=C(C=C4)OCO5)=C(N=C1C6=CC=CC=C6)C7=CC=CC=C7

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

InChI key

ITACCRHKSPSKKL-UHFFFAOYSA-N

Biochem/physiol Actions

NDT 9513727 is novel potent, selective and orally available C5a receptor inverse agonist.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Robbin M Brodbeck et al.
The Journal of pharmacology and experimental therapeutics, 327(3), 898-909 (2008-08-30)
The complement system represents an innate immune mechanism of host defense that has three effector arms, the C3a receptor, the C5a receptor (C5aR), and the membrane attack complex. Because of its inflammatory and immune-enhancing properties, the biological activity of C5a
Yi-Min Huang et al.
Arthritis & rheumatology (Hoboken, N.J.), 67(10), 2780-2790 (2015-06-23)
Patients with antineutrophil cytoplasmic antibody-associated vasculitis (AAV) have a high frequency of venous thromboembolic events and a hypercoagulable state. As C5a-primed neutrophils play an important role in the development of AAV, we investigated whether C5a-induced neutrophil tissue factor (TF)-expressing microparticles
Nathan Robertson et al.
Nature, 553(7686), 111-114 (2018-01-05)
The complement system is a crucial component of the host response to infection and tissue damage. Activation of the complement cascade generates anaphylatoxins including C5a and C3a. C5a exerts a pro-inflammatory effect via the G-protein-coupled receptor C5a anaphylatoxin chemotactic receptor

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