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A 85 4777

CAT: 0013-GTR19198395-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198395-01Size:25 mg
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Description
A 85 4777 is a homoperazine-derived small molecule exhibiting anti-inflammatory activity through nonclassical immunosuppressive mechanisms. It is utilized in research to study inflammatory pathways and immune modulation in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
117009-82-2
Field of Research
Metabolism Research
Smiles
OC1=C (C (C) (C) C) C=C (C (=O) N2CCCNCC2) C=C1C (C) (C) C
Molecular Formula
C20H32N2O2
Molecular Weight
332.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A85 4777

structure given in first source

CAS Number117009-82-2
PubChem CID3082813
IUPAC Name1,4-diazepan-1-yl-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
Molecular FormulaC20H32N2O2
Molecular Weight332.5
XLogP4.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity412
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCCNCC2
InChI
InChI=1S/C20H32N2O2/c1-19(2,3)15-12-14(13-16(17(15)23)20(4,5)6)18(24)22-10-7-8-21-9-11-22/h12-13,21,23H,7-11H2,1-6H3
InChIKey
LYRRSBJFMOFHBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A85 4777
CAS: 117009-82-2
CID: 3082813
Formula: C20H32N2O2
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass332.246378268
Monoisotopic Mass332.246378268
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity412
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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GTR19325452-01Hsa-miR-4777-5p miRNA Inhibitor
GTR19325453-01Hsa-miR-4777-5p miRNA Antagomir
GTR19325458-01Hsa-miR-4777-3p miRNA Antagomir
GTR19325455-01Hsa-miR-4777-3p miRNA Mimic
GTR19325454-01Hsa-miR-4777-5p miRNA Agomir

Alternative Products

CatalogName
T26457-01A 85 4777
HY-111589EPZ-4777
HY-RI01406-01Hsa-miR-4777-3p inhibitor
HY-R01407-01Hsa-miR-4777-5p mimic
HY-RI01406A-01Hsa-miR-4777-3p antagomir
MPH03022hsa-miR-4777-3p Primers
HY-RI01407A-01Hsa-miR-4777-5p antagomir
HY-R01407A-01Hsa-miR-4777-5p agomir
MPH03023hsa-miR-4777-5p Primers
HY-R01406-01Hsa-miR-4777-3p mimic

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