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DHMEQ (racemate)

CAT: 0804-HY-14645BSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-14645BSize:1 Each
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Description
DHMEQ racemate is a NF-κB inhibitor. DHMEQ racemate is less active than (-) -DHMEQ.
CAS Number
287194-38-1
Product Name Alternative
Rel-DHMEQ
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
NF-κB
Type
Reference compound
Related Pathways
NF-κB
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/DHMEQ-racemate.html
Solubility
DMSO : ≥ 32 mg/mL
Smiles
O=C1[C@H]2[C@H](O2)[C@H](O)C(NC(C3=C(O)C=CC=C3)=O)=C1.O=C4[C@@H](O5)[C@@H]5[C@@H](O)C(NC(C6=C(O)C=CC=C6)=O)=C4
Molecular Formula
C13H11NO5
Molecular Weight
522.47
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Matsumoto N, et al. Synthesis of NF-kappaB activation inhibitors derived from epoxyquinomicin C. Bioorg Med Chem Lett. 2000 May 1;10 (9) :865-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NF-κB

Chemical Information

Dehydroxymethylepoxyquinomicin

an NF-kappaB inhibitor; structure in first source

CAS Number287194-38-1
PubChem CID9881652
IUPAC Name2-hydroxy-N-[(1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
Molecular FormulaC13H11NO5
Molecular Weight261.23
XLogP0
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity446
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@@H]3[C@H]([C@H]2O)O3)O
InChI
InChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m0/s1
InChIKey
IUOMATKBBPCLFR-TUAOUCFPSA-N
Chemical Structure
2D Structure
2D structure of Dehydroxymethylepoxyquinomicin
CAS: 287194-38-1
CID: 9881652
Formula: C13H11NO5
MW: 261.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.23
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass261.06372245
Monoisotopic Mass261.06372245
Topological Polar Surface Area99.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A21379-10DHMEQ racemate 10mg
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A21379-5DHMEQ racemate 5mg
A21379-25DHMEQ racemate 25mg
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