MedKoo Cat#: 527107 | Name: GB83

Description:

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

GB83 is a selective antagonist of human protease activated receptor 2 (PAR2).

Chemical Structure

GB83
GB83
CAS#1252806-86-2

Theoretical Analysis

MedKoo Cat#: 527107

Name: GB83

CAS#: 1252806-86-2

Chemical Formula: C32H44N4O4

Exact Mass: 548.3363

Molecular Weight: 548.73

Elemental Analysis: C, 70.04; H, 8.08; N, 10.21; O, 11.66

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 #
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Synonym
GB83; GB 83; GB-83
IUPAC/Chemical Name
N-((S)-3-Cyclohexyl-1-((2S,3S)-1-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl)-3-methyl-1-oxopentan-2-ylamino)-1-oxopropan-2-yl)isoxazole-5-carboxamide
InChi Key
ZXMXAOYWSLZLQM-MCOVPRHSSA-N
InChi Code
InChI=1S/C32H44N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-12,14,18,22-23,26,28H,3-6,9-10,13,15-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
SMILES Code
O=C(C1=CC=NO1)N[C@@H](CC2CCCCC2)C(N[C@@H]([C@@H](C)CC)C(N3CCC4(CC3)CCC5=C4C=CC=C5)=O)=O
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 548.73 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: Muley MM, Krustev E, Reid AR, McDougall JJ. Prophylactic inhibition of neutrophil elastase prevents the development of chronic neuropathic pain in osteoarthritic mice. J Neuroinflammation. 2017 Aug 23;14(1):168. doi: 10.1186/s12974-017-0944-0. PubMed PMID: 28835277; PubMed Central PMCID: PMC5569523. 2: Ostertag D, Annahazi A, Krueger D, Michel K, Demir IE, Ceyhan GO, Zeller F, Schemann M. Tryptase potentiates enteric nerve activation by histamine and serotonin: Relevance for the effects of mucosal biopsy supernatants from irritable bowel syndrome patients. Neurogastroenterol Motil. 2017 Sep;29(9). doi: 10.1111/nmo.13070. Epub 2017 Apr 4. PubMed PMID: 28374503. 3: Indrakusuma I, Romacho T, Eckel J. Protease-Activated Receptor 2 Promotes Pro-Atherogenic Effects through Transactivation of the VEGF Receptor 2 in Human Vascular Smooth Muscle Cells. Front Pharmacol. 2017 Jan 4;7:497. doi: 10.3389/fphar.2016.00497. eCollection 2016. PubMed PMID: 28101054; PubMed Central PMCID: PMC5209375. 4: Cho NC, Seo SH, Kim D, Shin JS, Ju J, Seong J, Seo SH, Lee I, Lee KT, Kim YK, No KT, Pae AN. Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist. J Comput Aided Mol Des. 2016 Aug;30(8):625-37. doi: 10.1007/s10822-016-9937-9. Epub 2016 Sep 6. PubMed PMID: 27600555. 5: Romacho T, Vallejo S, Villalobos LA, Wronkowitz N, Indrakusuma I, Sell H, Eckel J, Sánchez-Ferrer CF, Peiró C. Soluble dipeptidyl peptidase-4 induces microvascular endothelial dysfunction through proteinase-activated receptor-2 and thromboxane A2 release. J Hypertens. 2016 May;34(5):869-76. doi: 10.1097/HJH.0000000000000886. PubMed PMID: 26895560. 6: Muley MM, Reid AR, Botz B, Bölcskei K, Helyes Z, McDougall JJ. Neutrophil elastase induces inflammation and pain in mouse knee joints via activation of proteinase-activated receptor-2. Br J Pharmacol. 2016 Feb;173(4):766-77. doi: 10.1111/bph.13237. Epub 2015 Jul 31. PubMed PMID: 26140667; PubMed Central PMCID: PMC4742294. 7: Bukowska A, Zacharias I, Weinert S, Skopp K, Hartmann C, Huth C, Goette A. Coagulation factor Xa induces an inflammatory signalling by activation of protease-activated receptors in human atrial tissue. Eur J Pharmacol. 2013 Oct 15;718(1-3):114-23. doi: 10.1016/j.ejphar.2013.09.006. Epub 2013 Sep 13. PubMed PMID: 24041930. 8: Barry GD, Suen JY, Le GT, Cotterell A, Reid RC, Fairlie DP. Novel agonists and antagonists for human protease activated receptor 2. J Med Chem. 2010 Oct 28;53(20):7428-40. doi: 10.1021/jm100984y. PubMed PMID: 20873792.