Product Name :
BAY-85-8501
Description:
BAY-85-8501 is a selective, reversible and potent inhibitor of Human Neutrophil Elastase (HNE), with an IC50 of 65 pM.
CAS:
1161921-82-9
Molecular Weight:
474.46
Formula:
C22H17F3N4O3S
Chemical Name:
(4S)-4-(4-cyano-2-methanesulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Smiles :
CN1[C@@H](C(C#N)=C(C)N(C1=O)C1C=C(C=CC=1)C(F)(F)F)C1=CC=C(C=C1S(C)(=O)=O)C#N
InChiKey:
YAJWYFPMASPAMM-HXUWFJFHSA-N
InChi :
InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.
Additional information:
BAY-85-8501 is a selective, reversible and potent inhibitor of Human Neutrophil Elastase (HNE), with an IC50 of 65 pM.|Product information|CAS Number: 1161921-82-9|Molecular Weight: 474.46|Formula: C22H17F3N4O3S|Chemical Name: (4S)-4-(4-cyano-2-methanesulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|Smiles: CN1[C@@H](C(C#N)=C(C)N(C1=O)C1C=C(C=CC=1)C(F)(F)F)C1=CC=C(C=C1S(C)(=O)=O)C#N|InChiKey: YAJWYFPMASPAMM-HXUWFJFHSA-N|InChi: InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: DMSO : 200 mg/mL (421.{{DREADD agonist 21} site|{DREADD agonist 21} GPCR/G Protein|{DREADD agonist 21} Activator|{DREADD agonist 21} Purity & Documentation|{DREADD agonist 21} Data Sheet|{DREADD agonist 21} custom synthesis} 53 mM; Need ultrasonic).{{Lopinavir} web|{Lopinavir} SARS-CoV|{Lopinavir} Biological Activity|{Lopinavir} In Vivo|{Lopinavir} custom synthesis|{Lopinavir} Autophagy} |Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.PMID:24487575 |Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vivo:|In this model the exogenous HNE noxa is the primary cause of injury and lung hemorrhage. Based on picomolar potency against HNE as well as single digit potency versus MNE, BAY-85-8501 (29) completely prevents the development of lung injury and subsequent inflammation when administered 1 h prior to the HNE noxa. In the 0.01 mg/kg dose group, hemoglobin concentration is already significantly decreased. At a dose of 0.1 mg/kg, a significant effect on neutrophil count is observed. In this setup, efficacy is predominantly driven by potency against HNE (Ki=0.08 nM). As the highly HNE-selective inhibitor BAY 85-8501 has no effect on PPE, BAY-85-8501 could not prevent the primary lung injury in this setup. Nevertheless, BAY-85-8501 could inhibit MNE, the endogenous driver of inflammation and secondary injury, although with decreased potency. Consequently, the effects of BAY-85-8501 on inflammation and secondary injury are weaker at this point, and only observed at 30-fold higher doses. Efficacy is predominantly driven by potency against MNE (Ki=6 nM) in this second setup.|Products are for research use only. Not for human use.|