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Merck
CN

SML3314

PF-00835231

≥98% (HPLC)

Synonym(s):

; N-((S)-1-((S)-4-Hydroxy-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-ylamino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-Hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-1H-indole-2-carboxamide, PF 00835231, PF 835231, PF-835231, PF00835231, PF835231

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About This Item

Empirical Formula (Hill Notation):
C24H32N4O6
CAS Number:
870153-29-0
Molecular Weight:
472.53
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD33029312

Key Documents

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InChI

1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1

InChI key

QDIMHKWNHMVDJB-WBAXXEDZSA-N

SMILES string

COC1=C2C(NC(C(N[C@@H](CC(C)C)C(N[C@H](C(CO)=O)C[C@H]3C(NCC3)=O)=O)=O)=C2)=CC=C1

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

Potent and selective corona virus hCoV, SARS CoV-1 & CoV-2 main protease (Mpro; 3CLpro) substrate site Cys145 covalent inhibitor with low host cytotoxicity.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000181950
0000181951
0000175235
0000175235
0000181950

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Robert L Hoffman et al.
Journal of medicinal chemistry, 63(21), 12725-12747 (2020-10-16)
The novel coronavirus disease COVID-19 that emerged in 2019 is caused by the virus SARS CoV-2 and named for its close genetic similarity to SARS CoV-1 that caused severe acute respiratory syndrome (SARS) in 2002. Both SARS coronavirus genomes encode

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