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MedKoo Cat#: 462946 | Name: Papain Inhibitor
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Description:

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

Papain inhibitor is a synthetic peptide inhibitor of the cysteine protease papain.

Chemical Structure

Papain Inhibitor
Papain Inhibitor
CAS#70195-20-9

Theoretical Analysis

MedKoo Cat#: 462946

Name: Papain Inhibitor

CAS#: 70195-20-9

Chemical Formula: C19H29N7O6

Exact Mass: 451.2179

Molecular Weight: 451.48

Elemental Analysis: C, 50.55; H, 6.47; N, 21.72; O, 21.26

Price and Availability

Size Price Availability Quantity
50mg USD 280.00 2 Weeks
100mg USD 470.00 2 Weeks
250mg USD 830.00 2 Weeks
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Related CAS #
No Data
Synonym
GGYR; Gly-Gly-Tyr-Arg;
IUPAC/Chemical Name
glycylglycyl-L-tyrosyl-L-arginine
InChi Key
FJPHHBGPPJXISY-KBPBESRZSA-N
InChi Code
InChI=1S/C19H29N7O6/c20-9-15(28)24-10-16(29)25-14(8-11-3-5-12(27)6-4-11)17(30)26-13(18(31)32)2-1-7-23-19(21)22/h3-6,13-14,27H,1-2,7-10,20H2,(H,24,28)(H,25,29)(H,26,30)(H,31,32)(H4,21,22,23)/t13-,14-/m0/s1
SMILES Code
O=C(N[C@H](C(O)=O)CCCNC(N)=N)[C@H](CC1=CC=C(C=C1)O)NC(CNC(CN)=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
>3 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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Papain inhibitor is a synthetic peptide inhibitor of the cysteine protease papain.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 451.48 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
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
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PMID: 32911158. 4: Gao X, Qin B, Chen P, Zhu K, Hou P, Wojdyla JA, Wang M, Cui S. Crystal structure of SARS-CoV-2 papain-like protease. Acta Pharm Sin B. 2020 Sep 2. doi: 10.1016/j.apsb.2020.08.014. Epub ahead of print. PMID: 32895623; PMCID: PMC7467110. 5: Gurung AB. In silico structure modelling of SARS-CoV-2 Nsp13 helicase and Nsp14 and repurposing of FDA approved antiviral drugs as dual inhibitors. Gene Rep. 2020 Dec;21:100860. doi: 10.1016/j.genrep.2020.100860. Epub 2020 Aug 28. PMID: 32875166; PMCID: PMC7452913. 6: Alamri MA, Tahir Ul Qamar M, Mirza MU, Alqahtani SM, Froeyen M, Chen LL. Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches. J Pharm Anal. 2020 Aug 28. doi: 10.1016/j.jpha.2020.08.012. Epub ahead of print. PMID: 32874702; PMCID: PMC7453225. 7: Bosken YK, Cholko T, Lou YC, Wu KP, Chang CA. Insights Into Dynamics of Inhibitor and Ubiquitin-Like Protein Binding in SARS-CoV-2 Papain-Like Protease. Front Mol Biosci. 2020 Aug 4;7:174. doi: 10.3389/fmolb.2020.00174. PMID: 32850963; PMCID: PMC7417481. 8: Klemm T, Ebert G, Calleja DJ, Allison CC, Richardson LW, Bernardini JP, Lu BG, Kuchel NW, Grohmann C, Shibata Y, Gan ZY, Cooney JP, Doerflinger M, Au AE, Blackmore TR, van der Heden van Noort GJ, Geurink PP, Ovaa H, Newman J, Riboldi- Tunnicliffe A, Czabotar PE, Mitchell JP, Feltham R, Lechtenberg BC, Lowes KN, Dewson G, Pellegrini M, Lessene G, Komander D. Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. EMBO J. 2020 Aug 26:e106275. doi: 10.15252/embj.2020106275. Epub ahead of print. PMID: 32845033; PMCID: PMC7461020. 9: Jastaniah A, Gaisina IN, Knopp RC, Thatcher GRJ. Synthesis of α-Ketoamide- Based Stereoselective Calpain-1 Inhibitors as Neuroprotective Agents. ChemMedChem. 2020 Aug 24. doi: 10.1002/cmdc.202000385. Epub ahead of print. PMID: 32840034. 10: Cantini F, Banci L, Altincekic N, Bains JK, Dhamotharan K, Fuks C, Fürtig B, Gande SL, Hargittay B, Hengesbach M, Hutchison MT, Korn SM, Kubatova N, Kutz F, Linhard V, Löhr F, Meiser N, Pyper DJ, Qureshi NS, Richter C, Saxena K, Schlundt A, Schwalbe H, Sreeramulu S, Tants JN, Wacker A, Weigand JE, Wöhnert J, Tsika AC, Fourkiotis NK, Spyroulias GA. 1H, 13C, and 15N backbone chemical shift assignments of the apo and the ADP-ribose bound forms of the macrodomain of SARS-CoV-2 non-structural protein 3b. Biomol NMR Assign. 2020 Oct;14(2):339-346. doi: 10.1007/s12104-020-09973-4. Epub 2020 Aug 14. PMID: 32803496; PMCID: PMC7428200. 11: Korn SM, Dhamotharan K, Fürtig B, Hengesbach M, Löhr F, Qureshi NS, Richter C, Saxena K, Schwalbe H, Tants JN, Weigand JE, Wöhnert J, Schlundt A. 1H, 13C, and 15N backbone chemical shift assignments of the nucleic acid-binding domain of SARS-CoV-2 non-structural protein 3e. Biomol NMR Assign. 2020 Oct;14(2):329-333. doi: 10.1007/s12104-020-09971-6. Epub 2020 Aug 8. PMID: 32770392; PMCID: PMC7414254. 12: Vardhan S, Sahoo SK. In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19. Comput Biol Med. 2020 Sep;124:103936. doi: 10.1016/j.compbiomed.2020.103936. Epub 2020 Jul 28. PMID: 32738628; PMCID: PMC7386496. 13: Flores-Solis D, Mendoza A, Rentería-González I, Casados-Vazquez LE, Trasviña-Arenas CH, Jiménez-Sandoval P, Benítez-Cardoza CG, Del Río-Portilla F, Brieba LG. Solution structure of the inhibitor of cysteine proteases 1 from Entamoeba histolytica reveals a possible auto regulatory mechanism. Biochim Biophys Acta Proteins Proteom. 2020 Nov;1868(11):140512. doi: 10.1016/j.bbapap.2020.140512. Epub 2020 Jul 28. PMID: 32731033. 14: AlAjmi MF, Azhar A, Owais M, Rashid S, Hasan S, Hussain A, Rehman MT. Antiviral potential of some novel structural analogs of standard drugs repurposed for the treatment of COVID-19. J Biomol Struct Dyn. 2020 Jul 30:1-13. doi: 10.1080/07391102.2020.1799865. Epub ahead of print. PMID: 32729392. 15: Su H, Su H, Zhou F, Huang Z, Ma X, Natarajan K, Zhang M, Huang Y. Molecular Insights into Small Molecule Drug Discovery for SARS-CoV-2. Angew Chem Int Ed Engl. 2020 Jul 29. doi: 10.1002/anie.202008835. Epub ahead of print. PMID: 32729180. 16: Chowdhury T, Roymahapatra G, Mandal SM. In Silico Identification of a Potent Arsenic Based Approved Drug Darinaparsin against SARS-CoV-2: Inhibitor of RNA Dependent RNA polymerase (RdRp) and Essential Proteases. Infect Disord Drug Targets. 2020 Jul 27. doi: 10.2174/1871526520666200727153643. Epub ahead of print. PMID: 32718300. 17: Iwaniak A, Minkiewicz P, Pliszka M, Mogut D, Darewicz M. Characteristics of Biopeptides Released In Silico from Collagens Using Quantitative Parameters. Foods. 2020 Jul 21;9(7):965. doi: 10.3390/foods9070965. PMID: 32708318; PMCID: PMC7404701. 18: Naidoo D, Roy A, Kar P, Mutanda T, Anandraj A. Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS- CoV-2: an in silico analysis. J Biomol Struct Dyn. 2020 Jul 21:1-13. doi: 10.1080/07391102.2020.1794972. Epub ahead of print. PMID: 32691680; PMCID: PMC7441779. 19: Lima AM, Barros NLF, Freitas ACO, Tavares LSC, Pirovani CP, Siqueira AS, Gonçalves EC, de Souza CRB. A new Piper nigrum cysteine proteinase inhibitor, PnCPI, with antifungal activity: molecular cloning, recombinant expression, functional analyses and molecular modeling. Planta. 2020 Jul 13;252(2):16. doi: 10.1007/s00425-020-03425-y. PMID: 32661769. 20: Henderson JA, Verma N, Shen J. Assessment of Proton-Coupled Conformational Dynamics of SARS and MERS Coronavirus Papain-like Proteases: Implication for Designing Broad-Spectrum Antiviral Inhibitors. bioRxiv [Preprint]. 2020 Jul 1:2020.06.30.181305. doi: 10.1101/2020.06.30.181305. PMID: 32637952; PMCID: PMC7337382.

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