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Hepatoprotective agent-2

CAT: 0804-HY-W027126Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W027126Size:1 Each
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Description
Hepatoprotective agent-2 (compound 2a), a 4-phenyl-tetrahydroquinoline derivative, displays a remarkable hepatoprotective effect. Hepatoprotective agent-2 has antiapoptotic activity. Hepatoprotective agent-2 notably prevents the chemically induced elevation of hepatic indicators associated with liver injury[1].
CAS Number
74873-41-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/hepatoprotective-agent-2.html
Solubility
10 mM in DMSO
Smiles
N#CC1=C(C2=CC=CC=C2)C(CCCC3)=C3N=C1N
Molecular Formula
C16H15N3
Molecular Weight
249.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Amani A. Sorour, et al. Structure Modification Converts the Hepatotoxic Tacrine into Novel Hepatoprotective Analogs. ACS Omega, January 2, 2024.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Number74873-41-9
PubChem CID754150
IUPAC Name2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Molecular FormulaC16H15N3
Molecular Weight249.31
XLogP3.6
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity352
SMILES
C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h1-3,6-7H,4-5,8-9H2,(H2,18,19)
InChIKey
MAOPIIGFJUIBSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS: 74873-41-9
CID: 754150
Formula: C16H15N3
MW: 249.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.31
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass249.126597491
Monoisotopic Mass249.126597491
Topological Polar Surface Area62.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity352
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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