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MedKoo Cat#: 525410 | Name: BOP sodium salt

Description:

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

BOP sodium salt is a novel dual alpha9beta1/alpha4beta1 integrin inhibitor.

Chemical Structure

BOP sodium salt
BOP sodium salt
CAS#1947348-42-6

Theoretical Analysis

MedKoo Cat#: 525410

Name: BOP sodium salt

CAS#: 1947348-42-6

Chemical Formula: C25H28N3NaO7S

Exact Mass: 537.1546

Molecular Weight: 537.56

Elemental Analysis: C, 55.86; H, 5.25; N, 7.82; Na, 4.28; O, 20.83; S, 5.96

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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Synonym
BOP sodium salt
IUPAC/Chemical Name
N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosine sodium salt
InChi Key
PNMINTLPFWMZKM-VROPFNGYSA-M
InChi Code
InChI=1S/C25H29N3O7S.Na/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27;/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31);/q;+1/p-1/t21-,22-;/m0./s1
SMILES Code
O=C([O-])[C@H](CC1=CC=C(OC(N2CCCC2)=O)C=C1)NC([C@H]3N(S(=O)(C4=CC=CC=C4)=O)CCC3)=O.[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 537.56 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: Temple NJ, Fraser J. Food labels: a critical assessment. Nutrition. 2014 Mar;30(3):257-60. doi: 10.1016/j.nut.2013.06.012. Epub 2013 Oct 15. Review. PubMed PMID: 24139165. 2: Schwarz F, Hegewald A, John G, Sahm N, Becker J. Four-year follow-up of combined surgical therapy of advanced peri-implantitis evaluating two methods of surface decontamination. J Clin Periodontol. 2013 Oct;40(10):962-7. doi: 10.1111/jcpe.12143. Epub 2013 Aug 12. PubMed PMID: 23931259. 3: Sağlam M, Arslan U, Buket Bozkurt Ş, Hakki SS. Boric acid irrigation as an adjunct to mechanical periodontal therapy in patients with chronic periodontitis: a randomized clinical trial. J Periodontol. 2013 Sep;84(9):1297-308. doi: 10.1902/jop.2012.120467. Epub 2012 Nov 3. PubMed PMID: 23121460. 4: Jiang X, Wang S, Cheng H, Huo Y, Zhang X, Zhu X, Han X, Ni P, Wu M. Genome sequence of Halobiforma lacisalsi AJ5, an extremely halophilic archaeon which harbors a bop gene. J Bacteriol. 2011 Dec;193(24):7023-4. doi: 10.1128/JB.06282-11. PubMed PMID: 22123770; PubMed Central PMCID: PMC3232858. 5: Krück C, Eick S, Knöfler GU, Purschwitz RE, Jentsch HF. Clinical and microbiologic results 12 months after scaling and root planing with different irrigation solutions in patients with moderate chronic periodontitis: a pilot randomized trial. J Periodontol. 2012 Mar;83(3):312-20. doi: 10.1902/jop.2011.110044. Epub 2011 Jul 12. PubMed PMID: 21749169. 6: Kilian M, Gregor JI, Heukamp I, Hanel M, Ahlgrimm M, Schimke I, Kristiansen G, Ommer A, Walz MK, Jacobi CA, Wenger FA. Matrix metalloproteinase inhibitor RO 28-2653 decreases liver metastasis by reduction of MMP-2 and MMP-9 concentration in BOP-induced ductal pancreatic cancer in Syrian Hamsters: inhibition of matrix metalloproteinases in pancreatic cancer. Prostaglandins Leukot Essent Fatty Acids. 2006 Dec;75(6):429-34. Epub 2006 Oct 10. PubMed PMID: 17034997. 7: Kasaj A, Willershausen B, Berakdar M, Tekyatan H, Sculean A. Effect of an oily calcium hydroxide suspension on early wound healing after nonsurgical periodontal therapy. Clin Oral Investig. 2006 Mar;10(1):72-6. Epub 2006 Jan 10. PubMed PMID: 16402229. 8: Heukamp I, Gregor JI, Kilian M, Kiewert C, Jacobi CA, Schimke I, Walz MK, Guski H, Wenger FA. Influence of different dietary fat intake on liver metastasis and hepatic lipid peroxidation in BOP-induced pancreatic cancer in Syrian hamsters. Pancreatology. 2006;6(1-2):96-102. Epub 2005 Dec 1. PubMed PMID: 16327286. 9: Gregor JI, Heukamp I, Kilian M, Kiewert C, Schimke I, Kristiansen G, Walz MK, Jacobi CA, Wenger FA. Does enteral nutrition of dietary polyunsaturated fatty acids promote oxidative stress and tumour growth in ductal pancreatic cancer? Experimental trial in Syrian Hamster. Prostaglandins Leukot Essent Fatty Acids. 2006 Jan;74(1):67-74. Epub 2005 Oct 13. PubMed PMID: 16226437. 10: Kilian M, Mautsch I, Gregor JI, Heinichen D, Jacobi CA, Schimke I, Guski H, Müller JM, Wenger FA. Influence of conjugated and conventional linoleic acid on tumor growth and lipid peroxidation in pancreatic adenocarcinoma in hamster. Prostaglandins Leukot Essent Fatty Acids. 2003 Jul;69(1):67-72. PubMed PMID: 12878453. 11: Murakami Y, Okada S, Nishihara M, Yokotani K. Roles of brain prostaglandin E2 and thromboxane A2 in the activation of the central sympatho-adrenomedullary outflow in rats. Eur J Pharmacol. 2002 Oct 11;452(3):289-94. PubMed PMID: 12359269.

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