MPI60 | CAS#3032440-80-2 | SARS-CoV-2 inhibitor

MedKoo Cat#: 150042 | Name: MPI60

Description:

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

MPI60 is a SARS-CoV-2 inhibitor. MPI60 containing a P2 (S)-2-azaspiro[4,4]nonane-3-carboxylate displays high antiviral potency, low cellular cytotoxicity, and high in vitro metabolic stability.

Chemical Structure

MPI60

CAS#3032440-80-2

Theoretical Analysis

MedKoo Cat#: 150042

Name: MPI60

CAS#: 3032440-80-2

Chemical Formula: C24H31N3O5

Exact Mass: 441.2260

Molecular Weight: 441.53

Elemental Analysis: C, 65.29; H, 7.08; N, 9.52; O, 18.12

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

MPI60; MPI-60; MPI 60;

IUPAC/Chemical Name

Benzyl (S)-3-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate

InChi Key

OYFTZDRWXGWCFB-NFBCFJMWSA-N

InChi Code

1S/C24H31N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,14,18-20H,4-5,8-13,15-16H2,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1

SMILES Code

O=C(N1CC2(CCCC2)CC1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4

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 441.53 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

1: Geng ZZ, Atla S, Shaabani N, Vulupala VR, Yang KS, Alugubelli YR, Khatua K, Chen PC, Xiao J, Blankenship LR, Ma XR, Vatansever EC, Cho CC, Ma Y, Allen R, Ji H, Xu S, Liu WR. A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. bioRxiv [Preprint]. 2023 Jan 18:2023.01.17.524469. doi: 10.1101/2023.01.17.524469. Update in: J Med Chem. 2023 Aug 24;66(16):11040-11055. doi: 10.1021/acs.jmedchem.3c00221. PMID: 36711580; PMCID: PMC9882326. 2: Geng ZZ, Atla S, Shaabani N, Vulupala V, Yang KS, Alugubelli YR, Khatua K, Chen PH, Xiao J, Blankenship LR, Ma XR, Vatansever EC, Cho CD, Ma Y, Allen R, Ji H, Xu S, Liu WR. A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J Med Chem. 2023 Aug 24;66(16):11040-11055. doi: 10.1021/acs.jmedchem.3c00221. Epub 2023 Aug 10. PMID: 37561993; PMCID: PMC10861299.