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Merck
CN

SML2445

PKS21004

≥98% (HPLC)

Synonym(s):

(2S)-N1-[2-[([1,1′-biphenyl]-3-ylcarbonyl)amino]ethyl]-N4-(1,1-dimethylethyl)-2-[(1-oxo-3-phenylpropyl)amino]-butanediamide

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About This Item

Empirical Formula (Hill Notation):
C32H38N4O4
CAS Number:
2095521-90-5
Molecular Weight:
542.67
UNSPSC Code:
12352200
NACRES:
NA.77

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InChI

1S/C32H38N4O4/c1-32(2,3)36-29(38)22-27(35-28(37)18-17-23-11-6-4-7-12-23)31(40)34-20-19-33-30(39)26-16-10-15-25(21-26)24-13-8-5-9-14-24/h4-16,21,27H,17-20,22H2,1-3H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t27-/m0/s1

InChI key

ZMFRLEFFYGXGES-MHZLTWQESA-N

SMILES string

O=C(N[C@@H](CC(NC(C)(C)C)=O)C(NCCNC(C1=CC=CC(C2=CC=CC=C2)=C1)=O)=O)CCC3=CC=CC=C3

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Related Categories

Biochem/physiol Actions

PKS21004 is highly selective, potent and reversible inhibitor of the Plasmodium falciparum proteasome (Pf20S) β5 subunit. It is not active against mammalian c-20S and i-20S proteasome subunits. PKS21004 is effective against erythrocytic, sexual, and liver-stage parasites. Also it is active against parasites resistant to current antimalarials, and strains from patients in Africa.
highly selective, potent and reversible inhibitor of the Plasmodium falciparum proteasome (Pf20S) β5 subunit

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
0000065316
0000065317
0000059137

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