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MedKoo Cat#: 574578 | Name: BAY-678
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

BAY-678 is a cell-permeable inhibitor of human neutrophil elastase (HNE).

Chemical Structure

BAY-678
BAY-678
CAS#675103-36-3

Theoretical Analysis

MedKoo Cat#: 574578

Name: BAY-678

CAS#: 675103-36-3

Chemical Formula: C20H15F3N4O2

Exact Mass: 400.1147

Molecular Weight: 400.36

Elemental Analysis: C, 60.00; H, 3.78; F, 14.24; N, 13.99; O, 7.99

Price and Availability

Size Price Availability Quantity
10mg USD 350.00 2 Weeks
25mg USD 660.00 2 Weeks
50mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
BAY-678, BAY678, BAY 678
IUPAC/Chemical Name
(R)-5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidin-4-yl)picolinonitrile
InChi Key
PGIVGIFOWOVINL-GOSISDBHSA-N
InChi Code
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-/m1/s1
SMILES Code
N#CC1=NC=C([C@H](C(C(C)=O)=C(C)N2C3=CC=CC(C(F)(F)F)=C3)NC2=O)C=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
DMF 30.0 74.93
DMSO 56.7 141.57
DMSO:PBS (pH 7.2) (1:2) 0.3 0.82
Ethanol 4.8 11.89
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 400.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. von Nussbaum F, et al. Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem. 2015 Jul;10(7):1163-73. 2. von Nussbaum F, et al. Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4370-81.

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