NDT9513727
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MedKoo CAT#: 562027

CAS#: 439571-48-9

Description: NDT9513727 potent, selective, and competitive antagonist for C5aR1.


Price and Availability

Size Price Shipping out time Quantity
10mg USD 320 2 Weeks
25mg USD 600 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2020-09-28. Prices are subject to change without notice.

NDT9513727, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 562027
Name: NDT9513727
CAS#: 439571-48-9
Chemical Formula: C36H35N3O4
Exact Mass: 573.2628
Molecular Weight: 573.69
Elemental Analysis: C, 75.37; H, 6.15; N, 7.32; O, 11.16


Synonym: NDT9513727; NDT-9513727; NDT 9513727;

IUPAC/Chemical Name: N,N-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-Imidazole-5-methanamine

InChi Key: ITACCRHKSPSKKL-UHFFFAOYSA-N

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

SMILES Code: CCCCN1C(CN(CC2=CC=C(OCO3)C3=C2)CC4=CC=C(OCO5)C5=C4)=C(C6=CC=CC=C6)N=C1C7=CC=CC=C7


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001


References

1: Robertson N, Rappas M, Doré AS, Brown J, Bottegoni G, Koglin M, Cansfield J, Jazayeri A, Cooke RM, Marshall FH. Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature. 2018 Jan 3;553(7686):111-114. doi: 10.1038/nature25025. PubMed PMID: 29300009.

2: Brodbeck RM, Cortright DN, Kieltyka AP, Yu J, Baltazar CO, Buck ME, Meade R, Maynard GD, Thurkauf A, Chien DS, Hutchison AJ, Krause JE. Identification and characterization of NDT 9513727 [N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-imidazole-5-methanam ine], a novel, orally bioavailable C5a receptor inverse agonist. J Pharmacol Exp Ther. 2008 Dec;327(3):898-909. doi: 10.1124/jpet.108.141572. Epub 2008 Aug 27. PubMed PMID: 18753409.