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SBC-115076 - 10mM in DMSO, high purity , CAS No.489415-96-5
Basic Description
Synonyms
4-(4-(benzyloxy)-3-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
SBC-115076 is a potent extracellular proprotein convertase subtilisin kexin type 9 (PCSK9) antagonist.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
SBC-115076 SBC-115076 is a potent extracellular proprotein convertase subtilisin kexin type 9 ( PCSK9 ) antagonist.
Targets
PCSK9
In vitro
In HepG2 cells, SBC-115076 increases the uptake of Fluorescent Dil-LDL.
In vivo
In mice that are fed high fat diet, SBC-115076 (8 mg/kg) lowers cholesterol levels by 32%.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Alkyl aryl ethers Toluenes Morpholines N-alkylpyrrolidines Pyridines and derivatives Pyrrolidine-2-ones Pyrrolidine-3-ones Vinylogous acids Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Lactams Trialkylamines Cyclic ketones Oxacyclic compounds Enols Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Pyrrolidone - N-alkylpyrrolidine - 2-pyrrolidone - 3-pyrrolidone - Heteroaromatic compound - Pyrrolidine - Vinylogous acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ether - Enol - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(4E)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
INCHI
InChI=1S/C31H33N3O5/c1-22-20-25(8-9-26(22)39-21-23-6-3-2-4-7-23)29(35)27-28(24-10-12-32-13-11-24)34(31(37)30(27)36)15-5-14-33-16-18-38-19-17-33/h2-4,6-13,20,28,35H,5,14-19,21H2,1H3/b29-27+
InChIKey
VVYIXKBHQQSREP-ORIPQNMZSA-N
Smiles
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)O)OCC5=CC=CC=C5
Isomeric SMILES
CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O)OCC5=CC=CC=C5
PubChem CID
5734410
Molecular Weight
527.61
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
527.600 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
9
Exact Mass
527.242 Da
Monoisotopic Mass
527.242 Da
Topological Polar Surface Area
92.200 Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
860.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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