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Merck
CN

SML1564

BAY-677

≥98% (HPLC)

Synonym(s):

(S)-BAY-678, 2-Pyridinecarbonitrile, 5-[(4S)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-, 5-{(4S)-5-Acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}pyridine-2-carbonitrile

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About This Item

Empirical Formula (Hill Notation):
C20H15F3N4O2
CAS Number:
2117404-84-7
Molecular Weight:
400.35
UNSPSC Code:
12352202
PubChem Substance ID:
329825967
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder

Key Documents

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assay

≥98% (HPLC)

form

powder

optical activity

[α]/D -21 to -29°, c = 0.5 in methanol

color

white to light brown

solubility

DMSO: 20 mg/mL, clear

storage temp.

2-8°C

SMILES string

CC(N1C2=CC=CC(C(F)(F)F)=C2)=C(C(C)=O)[C@H](C3=CN=C(C#N)C=C3)NC1=O

InChI

1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m0/s1

InChI key

PGIVGIFOWOVINL-SFHVURJKSA-N

Biochem/physiol Actions

BAY-677 is a negative control for HNE inhibitor BAY-678.
BAY-677 is the negative control probe for BAY-678, which is a human neutrophil elastase (HNE) inhibitor with >2,000-fold selectivity for HNE over a panel of 21 other serine proteases. For characterization details of BAY-678 and BAY-677, please visit the BAY-677 probe summary on the Structural Genomics Consortium (SGC) website.

BAY-678, the active HNE probe, is available from Sigma. To learn more about and purchase BAY-678, click here.

To learn about other SGC chemical probes for protein targets, visit sigma.com/sgc

Features and Benefits

BAY-677 is a chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC chemical probes, visit sigma.com/SGC.

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
046M4601V

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Global Trade Item Number

SKUGTIN
SML1564-25MG04061833213513
SML1564-5MG04061833213520

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