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07859

Sigma-Aldrich

SARS Protease Substrate

≥85% (HPLC)

Synonym(s):

L-Valyl-L-seryl-L-valyl-L-asparaginyl-L-seryl-L-threonyl-L-leucyl-L-glutaminyl-L-serylglycyl-L-leucyl-L-arginyl-L-lysyl-L-methionyl-L-alanine, Val-Ser-Val-Asn- Ser-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-Met-Ala

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About This Item

Empirical Formula (Hill Notation):
C66H119N21O22S
CAS Number:
587886-51-9
Molecular Weight:
1590.84
MDL number:
MFCD08274404
UNSPSC Code:
12352202
PubChem Substance ID:
329748524
NACRES:
NA.32

assay

≥85% (HPLC)

storage temp.

−20°C

SMILES string

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

InChI

1S/C66H119N21O22S/c1-30(2)23-40(57(100)78-37(16-14-21-73-66(71)72)55(98)77-36(15-12-13-20-67)54(97)80-39(19-22-110-11)53(96)75-34(9)65(108)109)76-48(94)26-74-52(95)43(27-88)83-56(99)38(17-18-46(68)92)79-58(101)41(24-31(3)4)81-64(107)51(35(10)91)87-61(104)44(28-89)84-59(102)42(25-47(69)93)82-63(106)50(33(7)8)86-60(103)45(29-90)85-62(105)49(70)32(5)6/h30-45,49-51,88-91H,12-29,67,70H2,1-11H3,(H2,68,92)(H2,69,93)(H,74,95)(H,75,96)(H,76,94)(H,77,98)(H,78,100)(H,79,101)(H,80,97)(H,81,107)(H,82,106)(H,83,99)(H,84,102)(H,85,105)(H,86,103)(H,87,104)(H,108,109)(H4,71,72,73)/t34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-,51-/m0/s1

InChI key

KPAXWJVUQQAPFD-KZVXTNNVSA-N

Application

Enzyme substrate for the assays of the SARS coronavirus main protease[1]

Biochem/physiol Actions

A study for determining substrate specificity for the SARS main protease indicated that the best substrates contained residues with high β-sheet propensity at positions P5 and P3., small hydrophobic residues at P4, hydrophobic residues without β-branching at residue P2 and a GLN for residue P1. [2]

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
1428173

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Kanchan Anand et al.
Science (New York, N.Y.), 300(5626), 1763-1767 (2003-05-15)
A novel coronavirus has been identified as the causative agent of severe acute respiratory syndrome (SARS). The viral main proteinase (Mpro, also called 3CLpro), which controls the activities of the coronavirus replication complex, is an attractive target for therapy. We
Chi-Pang Chuck et al.
PloS one, 5(10), e13197-e13197 (2010-10-16)
The 3C-like protease (3CL(pro)) of severe acute respiratory syndrome-coronavirus is required for autoprocessing of the polyprotein, and is a potential target for treating coronaviral infection. To obtain a thorough understanding of substrate specificity of the protease, a substrate library of

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