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MedKoo Cat#: 532958 | Name: W54011

Description:

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

W54011 is a high affinity C5a receptor antagonist (Ki = 2.2 nM).W54011 inhibits C5a-induced generation of reactive superoxide species, chemotaxis and intracellular Ca2+ mobilization in human neutrophils (IC50 values are 1.6, 2.7 and 3.1 nM, respectively).

Chemical Structure

W54011
W54011
CAS#405098-33-1

Theoretical Analysis

MedKoo Cat#: 532958

Name: W54011

CAS#: 405098-33-1

Chemical Formula: C30H36N2O2

Exact Mass: 456.2777

Molecular Weight: 456.63

Elemental Analysis: C, 78.91; H, 7.95; N, 6.13; O, 7.01

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
W54011; W 54011; W-54011
IUPAC/Chemical Name
N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
InChi Key
DVYASSBBADJRAS-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3
SMILES Code
O=C(C1CCCC2=C1C=C(OC)C=C2)N(CC3=CC=C(N(C)C)C=C3)C4=CC=C(C(C)C)C=C4
Appearance
White to off-white 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 456.63 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: Giraud T, Rufas P, Chmilewsky F, Rombouts C, Dejou J, Jeanneau C, About I. Complement Activation by Pulp Capping Materials Plays a Significant Role in Both Inflammatory and Pulp Stem Cells' Recruitment. J Endod. 2017 May 17. pii: S0099-2399(17)30261-3. doi: 10.1016/j.joen.2017.02.016. [Epub ahead of print] PubMed PMID: 28527850. 2: Seow V, Lim J, Cotterell AJ, Yau MK, Xu W, Lohman RJ, Kok WM, Stoermer MJ, Sweet MJ, Reid RC, Suen JY, Fairlie DP. Receptor residence time trumps drug-likeness and oral bioavailability in determining efficacy of complement C5a antagonists. Sci Rep. 2016 Apr 20;6:24575. doi: 10.1038/srep24575. PubMed PMID: 27094554; PubMed Central PMCID: PMC4837355. 3: Zhang JX, Zha WS, Ye LP, Wang F, Wang H, Shen T, Wu CH, Zhu QX. Complement C5a-C5aR interaction enhances MAPK signaling pathway activities to mediate renal injury in trichloroethylene sensitized BALB/c mice. J Appl Toxicol. 2016 Feb;36(2):271-84. doi: 10.1002/jat.3179. Epub 2015 Jun 10. PubMed PMID: 26095957. 4: Sendler M, Beyer G, Mahajan UM, Kauschke V, Maertin S, Schurmann C, Homuth G, Völker U, Völzke H, Halangk W, Wartmann T, Weiss FU, Hegyi P, Lerch MM, Mayerle J. Complement Component 5 Mediates Development of Fibrosis, via Activation of Stellate Cells, in 2 Mouse Models of Chronic Pancreatitis. Gastroenterology. 2015 Sep;149(3):765-76.e10. doi: 10.1053/j.gastro.2015.05.012. Epub 2015 May 19. PubMed PMID: 26001927; PubMed Central PMCID: PMC4560830. 5: Chmilewsky F, Jeanneau C, Laurent P, About I. LPS induces pulp progenitor cell recruitment via complement activation. J Dent Res. 2015 Jan;94(1):166-74. doi: 10.1177/0022034514555524. Epub 2014 Oct 30. PubMed PMID: 25359783. 6: Chmilewsky F, Jeanneau C, Laurent P, About I. Pulp fibroblasts synthesize functional complement proteins involved in initiating dentin-pulp regeneration. Am J Pathol. 2014 Jul;184(7):1991-2000. doi: 10.1016/j.ajpath.2014.04.003. Epub 2014 May 9. PubMed PMID: 24814102. 7: Chmilewsky F, Jeanneau C, Laurent P, Kirschfink M, About I. Pulp progenitor cell recruitment is selectively guided by a C5a gradient. J Dent Res. 2013 Jun;92(6):532-9. doi: 10.1177/0022034513487377. Epub 2013 Apr 19. PubMed PMID: 23603337. 8: Nitta H, Wada Y, Kawano Y, Murakami Y, Irie A, Taniguchi K, Kikuchi K, Yamada G, Suzuki K, Honda J, Wilson-Morifuji M, Araki N, Eto M, Baba H, Imamura T. Enhancement of human cancer cell motility and invasiveness by anaphylatoxin C5a via aberrantly expressed C5a receptor (CD88). Clin Cancer Res. 2013 Apr 15;19(8):2004-13. doi: 10.1158/1078-0432.CCR-12-1204. Epub 2013 Jan 3. PubMed PMID: 23287562. 9: Itoh S, Takeshita K, Susuki C, Shige-Eda K, Tsuji T. Redistribution of P-selectin ligands on neutrophil cell membranes and the formation of platelet-neutrophil complex induced by hemodialysis membranes. Biomaterials. 2008 Jul;29(21):3084-90. doi: 10.1016/j.biomaterials.2008.04.018. Epub 2008 May 2. PubMed PMID: 18452987. 10: Hama H, Ono N, Abe M. [Study for an allergic inflammation model using human lungs and its pharmacological application]. Yakugaku Zasshi. 2007 Apr;127(4):721-7. Review. Japanese. PubMed PMID: 17409703. 11: Sumichika H, Sakata K, Sato N, Takeshita S, Ishibuchi S, Nakamura M, Kamahori T, Ehara S, Itoh K, Ohtsuka T, Ohbora T, Mishina T, Komatsu H, Naka Y. Identification of a potent and orally active non-peptide C5a receptor antagonist. J Biol Chem. 2002 Dec 20;277(51):49403-7. Epub 2002 Oct 15. PubMed PMID: 12384495.