YH-6 | CAS# | 3CL Protease inhibitor

MedKoo Cat#: 121211 | Name: YH-6

Description:

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

YH-6 is Covalent Inhibitor for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. YH-6 strongly blocks SARS-CoV-2 replication in infected cells, and its potency is comparable to that of nirmatrelvir. X-ray structural analysis showed that YH-6 formed a covalent bond with Cys145 at the catalytic center of 3CLpro. The strong antiviral activity and favorable pharmacokinetic properties of YH-6 suggest its potential as a lead compound for the treatment of COVID-19.

Chemical Structure

YH-6

CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 121211

Name: YH-6

CAS#: Unknown

Chemical Formula: C22H26ClF2N5O4

Exact Mass: 497.1641

Molecular Weight: 497.93

Elemental Analysis: C, 53.07; H, 5.26; Cl, 7.12; F, 7.63; N, 14.07; O, 12.85

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

YH-6; YH6; YH 6

IUPAC/Chemical Name

1-((S)-1-(2-((R)-2-chloro-2-fluoroacetyl)-2-(((S)-2-oxopyrrolidin-3-yl)methyl)hydrazinyl)-4-methyl-1-oxopentan-2-yl)-4-fluoro-1H-indole-2-carboxamide

InChi Key

BSWPLQNHVGTBDY-IGNZVWTISA-N

InChi Code

InChI=1S/C22H26ClF2N5O4/c1-11(2)8-17(30-15-5-3-4-14(24)13(15)9-16(30)19(26)31)21(33)28-29(22(34)18(23)25)10-12-6-7-27-20(12)32/h3-5,9,11-12,17-18H,6-8,10H2,1-2H3,(H2,26,31)(H,27,32)(H,28,33)/t12-,17-,18-/m0/s1

SMILES Code

O=C([C@@H](N1C(C=CC=C2F)=C2C=C1C(N)=O)CC(C)C)NN(C[C@H]3C(NCC3)=O)C([C@H](F)Cl)=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 497.93 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

Hirose Y, Shindo N, Mori M, Onitsuka S, Isogai H, Hamada R, Hiramoto T, Ochi J, Takahashi D, Ueda T, Caaveiro JMM, Yoshida Y, Ohdo S, Matsunaga N, Toba S, Sasaki M, Orba Y, Sawa H, Sato A, Kawanishi E, Ojida A. Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J Med Chem. 2022 Oct 27;65(20):13852-13865. doi: 10.1021/acs.jmedchem.2c01081. Epub 2022 Oct 13. PMID: 36229406.