Calpain Inhibitor XII
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MedKoo CAT#: 463433

CAS#: 181769-57-3

Description: 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

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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: 482.581
Elemental Analysis: C, 64.71; H, 7.10; N, 11.61; O, 16.58

Price and Availability

Size Price Availability Quantity
1.0mg USD 260.0 2 Weeks
5.0mg USD 650.0 2 Weeks
10.0mg USD 1040.0 2 Weeks
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Synonym: Calpain Inhibitor XII;

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

Preparing Stock Solutions

The following data is based on the product molecular weight 482.581 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

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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.