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6-Hydroxy-DOPA

CAT: 0804-HY-110286-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110286-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Hydroxy-DOPA is a selective and effective allosteric inhibitor of the RAD52 ssDNA binding domain. 6-Hydroxy-DOPA can be used for the research of cancer[1].
CAS Number
21373-30-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/6-hydroxy-dopa.html
Purity
98.37
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
OC(C(N)CC1=C(C=C(O)C(O)=C1)O)=O
Molecular Formula
C9H11NO5
Molecular Weight
213.19
Precautions
H302, H315, H319, H335
References & Citations
[1]Chandramouly G, et al. Small-Molecule Disruption of RAD52 Rings as a Mechanism for Precision Medicine in BRCA-Deficient Cancers. Chem Biol. 2015;22 (11) :1491-1504.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(2,4,5-Trihydroxyphenyl)-DL-alanine

6-hydroxydopa is a non-proteinogenic alpha-amino acid. It is functionally related to a dopa.

CAS Number21373-30-8
PubChem CID107794
IUPAC Name2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid
Molecular FormulaC9H11NO5
Molecular Weight213.19
XLogP-2.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity235
SMILES
C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N
InChI
InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
InChIKey
YLKRUSPZOTYMAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,4,5-Trihydroxyphenyl)-DL-alanine
CAS: 21373-30-8
CID: 107794
Formula: C9H11NO5
MW: 213.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.19
XLogP3-2.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass213.06372245
Monoisotopic Mass213.06372245
Topological Polar Surface Area124 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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