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MedKoo Cat#: 463433 | Name: Calpain Inhibitor XII
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Description:

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

Calpain Inhibitor XII is a selective inhibitor of calpain I (mu-calpain, Ki = 19 nM); calpain II (m-calpain, Ki = 120 nM); and cathepsin B (Ki = 750 nM), being also active against human cathepsin L, a host-protease that is important for viral entry

Chemical Structure

Calpain Inhibitor XII
Calpain Inhibitor XII
CAS#181769-57-3

Theoretical Analysis

MedKoo Cat#: 463433

Name: Calpain Inhibitor XII

CAS#: 181769-57-3

Chemical Formula: C26H34N4O5

Exact Mass: 482.2529

Molecular Weight: 482.58

Elemental Analysis: C, 64.71; H, 7.10; N, 11.61; O, 16.58

Price and Availability

Size Price Availability Quantity
1mg USD 300.00 2 Weeks
5mg USD 850.00 2 Weeks
10mg USD 1,350.00 2 Weeks
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Synonym
Calpain Inhibitor XII; (Rac)-Calpain Inhibitor XII; Z-L-Nva-CONH-CH2-2-Py
IUPAC/Chemical Name
benzyl (1-((1,2-dioxo-1-((pyridin-2-ylmethyl)amino)hexan-3-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
InChi Key
PLVWMBFPIAQRHK-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
SMILES Code
CC(C)CC(C(NC(C(C(NCC1=NC=CC=C1)=O)=O)CCC)=O)NC(OCC2=CC=CC=C2)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 482.58 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: Sacco MD, Ma C, Lagarias P, Gao A, Townsend JA, Meng X, Dube P, Zhang X, Hu Y, Kitamura N, Hurst B, Tarbet B, Marty MT, Kolocouris A, Xiang Y, Chen Y, Wang J. Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against Mpro and cathepsin L. Sci Adv. 2020 Nov 6:eabe0751. doi: 10.1126/sciadv.abe0751. Epub ahead of print. PMID: 33158912. 2: Hu Y, Ma C, Szeto T, Hurst B, Tarbet B, Wang J. Boceprevir, calpain inhibitors II and XII, and GC-376 have broad-spectrum antiviral activity against coronaviruses in cell culture. bioRxiv [Preprint]. 2020 Nov 1:2020.10.30.362335. doi: 10.1101/2020.10.30.362335. PMID: 33140049; PMCID: PMC7605558. 3: Gurard-Levin ZA, Liu C, Jekle A, Jaisinghani R, Ren S, Vandyck K, Jochmans D, Leyssen P, Neyts J, Blatt LM, Beigelman L, Symons JA, Raboisson P, Scholle MD, Deval J. Evaluation of SARS-CoV-2 3C-like protease inhibitors using self- assembled monolayer desorption ionization mass spectrometry. Antiviral Res. 2020 Oct;182:104924. doi: 10.1016/j.antiviral.2020.104924. Epub 2020 Sep 5. PMID: 32896566. 4: Sacco MD, Ma C, Lagarias P, Gao A, Townsend JA, Meng X, Dube P, Zhang X, Hu Y, Kitamura N, Hurst B, Tarbet B, Marty MT, Kolocouris A, Xiang Y, Chen Y, Wang J. Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against Mpro and cathepsin L. bioRxiv [Preprint]. 2020 Jul 27:2020.07.27.223727. doi: 10.1101/2020.07.27.223727. Update in: Sci Adv. 2020 Nov 6;: PMID: 32766590; PMCID: PMC7402059. 5: Ma C, Sacco MD, Hurst B, Townsend JA, Hu Y, Szeto T, Zhang X, Tarbet B, Marty MT, Chen Y, Wang J. Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res. 2020 Aug;30(8):678-692. doi: 10.1038/s41422-020-0356-z. Epub 2020 Jun 15. PMID: 32541865; PMCID: PMC7294525. 6: Ma C, Sacco MD, Hurst B, Townsend JA, Hu Y, Szeto T, Zhang X, Tarbet B, Marty MT, Chen Y, Wang J. Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. bioRxiv [Preprint]. 2020 Jan 6:2020.04.20.051581. doi: 10.1101/2020.04.20.051581. Update in: Cell Res. 2020 Aug;30(8):678-692. PMID: 32511378; PMCID: PMC7263507. 7: Khoutorsky A, Spira ME. Calpain inhibitors alter the excitable membrane properties of cultured aplysia neurons. J Neurophysiol. 2008 Nov;100(5):2784-93. doi: 10.1152/jn.90487.2008. Epub 2008 Aug 6. PMID: 18684908.

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BTT-3033

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