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DMI-9523

CAT: 0931-T27192-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27192-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
397847-46-0
Target
Others
Related Pathways
Others
Bioactivity
DMI-9523 is nuclear factor NF-κB activation inhibitor. Antigen-stimulated human T lymphocytes produce significantly lower quantities of interferon-gamma and tumor necrosis factor-alpha after stimulation in vitro in the presence of DA-DKP. DA-DKP can modulate the inflammatory immune response through a molecular pathway implicated in T- lymphocyte anergy.
Smiles
C(C(O)=O)C1C(=O)NC(C)C(=O)N1
Molecular Formula
C7H10N2O4
Molecular Weight
186.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(5-Methyl-3,6-dioxopiperazin-2-yl)acetic acid
CAS Number397847-46-0
PubChem CID9794086
IUPAC Name2-(5-methyl-3,6-dioxopiperazin-2-yl)acetic acid
Molecular FormulaC7H10N2O4
Molecular Weight186.17
XLogP-1.4
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity263
SMILES
CC1C(=O)NC(C(=O)N1)CC(=O)O
InChI
InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)
InChIKey
RVLCUCVJZVRNDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Methyl-3,6-dioxopiperazin-2-yl)acetic acid
CAS: 397847-46-0
CID: 9794086
Formula: C7H10N2O4
MW: 186.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.17
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass186.06405680
Monoisotopic Mass186.06405680
Topological Polar Surface Area95.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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