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2,4,6-Trihydroxybenzoic acid

CAT: 0804-HY-W077292-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W077292-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,4,6-Trihydroxybenzoic acid, the flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid can be used for the research of cancer[1].
CAS Number
83-30-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CDK
Type
Natural Products
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/2-4-6-trihydroxybenzoic-acid.html
Concentration
10mM
Purity
99.73
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)C1=C(O)C=C(O)C=C1O
Molecular Formula
C7H6O5
Molecular Weight
170.12
Precautions
H302, H315, H319, H335
References & Citations
[1]Sankaranarayanan R, et, al. The Flavonoid Metabolite 2,4,6-Trihydroxybenzoic Acid Is a CDK Inhibitor and an Anti-Proliferative Agent: A Potential Role in Cancer Prevention. Cancers (Basel) . 2019 Mar 26;11 (3) :427.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2,4,6-Trihydroxybenzoic acid

2,4,6-trihydroxybenzoic acid is a trihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2, 4 and 6. It has a role as a fungal metabolite. It is a monocarboxylic acid and a trihydroxybenzoic acid.

CAS Number83-30-7
PubChem CID66520
IUPAC Name2,4,6-trihydroxybenzoic acid
Molecular FormulaC7H6O5
Molecular Weight170.12
XLogP1.8
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
C1=C(C=C(C(=C1O)C(=O)O)O)O
InChI
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
InChIKey
IBHWREHFNDMRPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trihydroxybenzoic acid
CAS: 83-30-7
CID: 66520
Formula: C7H6O5
MW: 170.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.12
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass170.02152329
Monoisotopic Mass170.02152329
Topological Polar Surface Area98 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
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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