ML2006a4 | Mpro inhibitor | CAS#2943213-62-3

MedKoo Cat#: 128358 | Name: ML2006a4

Description:

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

ML2006a4 is a Mpro inhibitor.

Chemical Structure

ML2006a4

CAS#2943213-62-3

Theoretical Analysis

MedKoo Cat#: 128358

Name: ML2006a4

CAS#: 2943213-62-3

Chemical Formula: C30H44F3N5O6

Exact Mass: 627.3244

Molecular Weight: 627.71

Elemental Analysis: C, 57.40; H, 7.07; F, 9.08; N, 11.16; O, 15.29

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

ML2006a4; ML2006a-4; ML-2006a4; ML2006-a4

IUPAC/Chemical Name

(1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-N-((S)-4-(3,3-dimethylazetidin-1-yl)-3,4-dioxo-1-((S)-2-oxopiperidin-3-yl)butan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

InChi Key

VROHPLCHMBSVMZ-PUFBLQPOSA-N

InChi Code

InChI=1S/C30H44F3N5O6/c1-27(2,3)21(36-26(44)30(31,32)33)25(43)38-12-16-18(29(16,6)7)19(38)23(41)35-17(11-15-9-8-10-34-22(15)40)20(39)24(42)37-13-28(4,5)14-37/h15-19,21H,8-14H2,1-7H3,(H,34,40)(H,35,41)(H,36,44)/t15-,16-,17-,18-,19-,21+/m0/s1

SMILES Code

O=C([C@@H]1[C@@]2([H])C(C)(C)[C@@]2([H])CN1C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)N[C@H](C(C(N3CC(C)(C)C3)=O)=O)C[C@H]4C(NCCC4)=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 627.71 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: Westberg M, Su Y, Zou X, Huang P, Rustagi A, Garhyan J, Patel PB, Fernandez D, Wu Y, Hao C, Lo CW, Karim M, Ning L, Beck A, Saenkham-Huntsinger P, Tat V, Drelich A, Peng BH, Einav S, Tseng CK, Blish C, Lin MZ. An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med. 2024 Mar 13;16(738):eadi0979. doi: 10.1126/scitranslmed.adi0979. Epub 2024 Mar 13. PMID: 38478629; PMCID: PMC11193659. 2: Lo CW, Kariv O, Hao C, Gammeltoft KA, Bukh J, Gottwein J, Westberg M, Lin MZ, Einav S. Replication capacity and susceptibility of nirmatrelvir-resistant mutants to next-generation Mpro inhibitors in a SARS-CoV-2 replicon system. Antiviral Res. 2024 Nov;231:106022. doi: 10.1016/j.antiviral.2024.106022. Epub 2024 Oct 17. PMID: 39424074; PMCID: PMC11578872.