Mpro 13b-H | CAS# | Mpro inhibitor

MedKoo Cat#: 123022 | Name: Mpro 13b-H

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Description:

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

Mpro 13b-H is a negative control for the coronavirus Mpro inhibitor.

Chemical Structure

Mpro 13b-H

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 123022

Name: Mpro 13b-H

CAS#: N/A

Chemical Formula: C31H39N5O7

Exact Mass: 593.2800

Molecular Weight: 593.68

Elemental Analysis: C, 62.72; H, 6.62; N, 11.80; O, 18.86

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 550.00	2 Weeks

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Related CAS #

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Synonym

Mpro 13b-H; Mpro 13b-H; Mpro-13b-H

IUPAC/Chemical Name

tert-Butyl (1-((R)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate

InChi Key

NLVRHQFXQFSBQK-OEMFJLHTSA-N

InChi Code

InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-24H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24+/m0/s1

SMILES Code

O=C(OC(C)(C)C)NC1=CC=CN([C@H](CC2CC2)C(N[C@H](C(C(NCC3=CC=CC=C3)=O)=O)C[C@H]4C(NCC4)=O)=O)C1=O

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 593.68 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.

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

Cooper MS, Zhang L, Ibrahim M, Zhang K, Sun X, Röske J, Göhl M, Brönstrup M, Cowell JK, Sauerhering L, Becker S, Vangeel L, Jochmans D, Neyts J, Rox K, Marsh GP, Maple HJ, Hilgenfeld R. Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J Med Chem. 2022 Oct 13;65(19):13328-13342. doi: 10.1021/acs.jmedchem.2c01131. Epub 2022 Sep 30. PMID: 36179320; PMCID: PMC9574927.