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Obtusifolin

CAT: 0931-T4S0969-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T4S0969-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
477-85-0
Target
NF-κB, Antioxidant
Related Pathways
Oxidation-Reduction, NF-κB
Purity
0.9999
Bioactivity
1. Obtusifolin has antioxidant properties and improves chemically induced diabetes and its complications by modulation of oxidative stress. 2. Obtusifolin suppresses phthalate esters-mediated bone resorption, thus may be a novel anti-breast-cancer bone metastasis agent. 3. Obtusifolin has beneficial effects on the development of diabetic retinopathy via inhibition of accumulation of oxidatively modified DNA and nitrotyrosine in the retina, can help prevent vision loss in diabetic patients. 4. Obtusifolin and gluco-Obtusifolin produce significant antinociceptive action in rodent behavioral models of inflammatory/neuropathic pain, and that this activity is associated with modulation of neuroinflammation in spinal cord. 5. Gluco-Obtusifolin and its aglycone may be useful for the treatment of cognitive impairment, and that its beneficial effects are mediated, in part, by the enhancement of cholinergic signaling.
Smiles
COc1c(O)c(C)cc2C(=O)c3cccc(O)c3C(=O)c12
Molecular Formula
C16H12O5
Molecular Weight
284.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Obtusifolin

Obtusifolin is a dihydroxyanthraquinone.

CAS Number477-85-0
PubChem CID3083575
IUPAC Name2,8-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity448
SMILES
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3
InChIKey
NYRXUBDGDSRBGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Obtusifolin
CAS: 477-85-0
CID: 3083575
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area83.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity448
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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CatalogName
300707Obtusifolin
371751Obtusifolin discontinued
A14672-1Obtusifolin 1mg
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A14672-50Obtusifolin 50mg
A14672-25Obtusifolin 25mg
HY-N2098RObtusifolin (Standard)
A14672-10Obtusifolin 10mg
A14672-5Obtusifolin 5mg
HY-N11521-017-Methoxy obtusifolin

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