MedKoo Cat#: 532346 | Name: NF546
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

NF546 is a non-nucleotide P2Y11 agonist and stimulates release of interleukin-8 from human monocyte-derived dendritic cells.

Chemical Structure

NF546
CAS#1006028-37-0 (sodium)

Theoretical Analysis

MedKoo Cat#: 532346

Name: NF546

CAS#: 1006028-37-0 (sodium)

Chemical Formula: C47H44N6Na4O17P4

Exact Mass: 1180.1304

Molecular Weight: 1180.75

Elemental Analysis: C, 47.81; H, 3.76; N, 7.12; Na, 7.79; O, 23.03; P, 10.49

Price and Availability

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10mg USD 340.00
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Related CAS #
907547-55-1 (free acid) 1006028-37-0 (sodium)
Synonym
NF546; NF 546; NF-546.
IUPAC/Chemical Name
tetrasodium;[2-[[3-[[3-[[3-[[5-[[2,4-bis[[hydroxy(oxido)phosphoryl]methyl]phenyl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5-[[hydroxy(oxido)phosphoryl]methyl]phenyl]methyl-hydroxyphosphinate
InChi Key
GSMUPMANKNAMAS-UHFFFAOYSA-J
InChi Code
InChI=1S/C47H48N6O17P4.4Na/c1-27-9-13-33(45(56)50-39-15-11-29(23-71(59,60)61)17-35(39)25-73(65,66)67)21-41(27)52-43(54)31-5-3-7-37(19-31)48-47(58)49-38-8-4-6-32(20-38)44(55)53-42-22-34(14-10-28(42)2)46(57)51-40-16-12-30(24-72(62,63)64)18-36(40)26-74(68,69)70;;;;/h3-22H,23-26H2,1-2H3,(H,50,56)(H,51,57)(H,52,54)(H,53,55)(H2,48,49,58)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70);;;;/q;4*+1/p-4
SMILES Code
O=P(O)(CC1=CC(CP([O-])(O)=O)=CC=C1NC(C2=CC=C(C)C(NC(C3=CC=CC(NC(NC4=CC=CC(C(NC5=CC(C(NC6=CC=C(CP([O-])(O)=O)C=C6CP([O-])(O)=O)=O)=CC=C5C)=O)=C4)=O)=C3)=O)=C2)=O)[O-].[Na+].[Na+].[Na+].[Na+]
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,180.75 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.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Meis S, Hamacher A, Hongwiset D, Marzian C, Wiese M, Eckstein N, Royer HD, Communi D, Boeynaems JM, Hausmann R, Schmalzing G, Kassack MU. NF546 [4,4'-(carbonylbis(imino-3,1-phenylene-carbonylimino-3,1-(4-methyl-phenylene)-car bonylimino))-bis(1,3-xylene-alpha,alpha'-diphosphonic acid) tetrasodium salt] is a non-nucleotide P2Y11 agonist and stimulates release of interleukin-8 from human monocyte-derived dendritic cells. J Pharmacol Exp Ther. 2010 Jan;332(1):238-47. doi: 10.1124/jpet.109.157750. Epub 2009 Oct 8. PubMed PMID: 19815812.