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LucPpy-IN-1

CAT: 0804-HY-148407-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148407-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LucPpy-IN-1 (compound 9) is an ATP-dependent luciferase from Photinus pyralis (lucPpy) inhibitor with an IC50 value of 4.0 μM. lucPpy-IN-1 can be used for the research of target’s agentgability[1].
CAS Number
546100-66-7
UNSPSC
12171500
Hazard Statement
H315-H319-H320
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lucppy-in-1.html
Purity
99.48
Solubility
DMSO : 125 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC(C2=CC=C(C)C=C2)=NC3=CC=CC=C13)N4CCN(C5=NC=CC=N5)CC4
Molecular Formula
C25H23N5O
Molecular Weight
409.48
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Auld DS, et al. A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution. J Med Chem. 2009 Mar 12;52 (5) :1450-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CAS Number546100-66-7
PubChem CID2093195
IUPAC Name[2-(4-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Molecular FormulaC25H23N5O
Molecular Weight409.5
XLogP3.9
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity593
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3
InChIKey
BESCHBVTVJFEFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CAS: 546100-66-7
CID: 2093195
Formula: C25H23N5O
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass409.19026037
Monoisotopic Mass409.19026037
Topological Polar Surface Area62.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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