Product Name :
YH-53
Description:
YH-53 is a potent 3CLpro inhibitor with Ki values of 6.3 nM, 34.7 nM for SARS-CoV-1 3CLpro and SARS-CoV-2 3CLpro, respectively. YH-53 strongly blocks the SARS-CoV-2 replication. YH-53 is a peptidomimetic compound with a unique benzothiazolyl ketone.
CAS:
1471484-62-4
Molecular Weight:
575.68
Formula:
C30H33N5O5S
Chemical Name:
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide
Smiles :
CC(C)C[C@H](NC(=O)C1=CC2C(=CC=CC=2OC)N1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C1=NC2=CC=CC=C2S1
InChiKey:
JBLLRCOZJMVOAE-HSQYWUDLSA-N
InChi :
InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.Pramipexole Epigenetic Reader Domain
Additional information:
YH-53 is a potent 3CLpro inhibitor with Ki values of 6.β-Amyloid (1-42), human Amyloid-β 3 nM, 34.PMID:33300410 7 nM for SARS-CoV-1 3CLpro and SARS-CoV-2 3CLpro, respectively. YH-53 strongly blocks the SARS-CoV-2 replication. YH-53 is a peptidomimetic compound with a unique benzothiazolyl ketone.|Product information|CAS Number: 1471484-62-4|Molecular Weight: 575.68|Formula: C30H33N5O5S|Chemical Name: N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide|Smiles: CC(C)C[C@H](NC(=O)C1=CC2C(=CC=CC=2OC)N1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C1=NC2=CC=CC=C2S1|InChiKey: JBLLRCOZJMVOAE-HSQYWUDLSA-N|InChi: InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|YH-53 (1-25 μM; for 24 h) efficiently reduces copies of total RNA with increased concentrations in VeroE6/TMPRSS2 cells. YH-53 (1, 5, 10, 15, 20, 25 μM; for 48 h) with 10 μM completely blocks the viral proliferation against SARS-CoV-2 were examined by a cytopathic effect (CPE) assay in Vero cells. YH-53 (10, 100 μM; for 24 h) has no cytotoxicity with a CC50 value of >100 μM in vero cells. YH-53 (10 μM) moderately inhibits CYP1A2, CYP2D6, and CYP2C8 (26.6%, 38.0%, 66.4%, respectively). YH-53 has no inhibition on CYP2C9 and CYP3A4. YH-53 inhibits SARS-CoV 3CLpro with an IC50 of 0.74 μM.|In Vivo:|YH-53 (0.1 mg/kg; iv) has a T1/2 of 2.97 hours, an AUC0–∞ of 19.7 ng•h/mL, a Vd of 3.51 L/kg in rats. YH-53 (0.5 mg/kg; oral) has a T1/2 of 9.64 hours, an AUC0–∞ of 3.49 ng•h/mL, a Cmax of 1.08 ng/mL in rats.|Products are for research use only. Not for human use.|