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T2AA

CAT: 0804-HY-110111-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110111-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
T2AA is a monoubiquitinated proliferating cell nuclear antigen (PCNA) inhibitor that prevents DNA repair, increases double-strand break (DSB) formation and promotes necroptosis and cell cycle arrest in G1 phase[1].
CAS Number
1380782-27-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319
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/t2aa.html
Concentration
10mM
Purity
99.04
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
IC(C=C(C[C@H](N)CO)C=C1I)=C1OC2=CC=C(O)C=C2
Molecular Formula
C15H15I2NO3
Molecular Weight
511.09
Precautions
H302, H315, H319
References & Citations
[1]Akira Inoue, et al. A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin. J Biol Chem. 2014 Mar 7;289 (10) :7109-7120.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol
CAS Number1380782-27-3
PubChem CID71185540
IUPAC Name4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol
Molecular FormulaC15H15I2NO3
Molecular Weight511.09
XLogP3.1
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity301
SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@@H](CO)N)I
InChI
InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1
InChIKey
NKOSKXJRVWVXRI-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol
CAS: 1380782-27-3
CID: 71185540
Formula: C15H15I2NO3
MW: 511.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.09
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass510.91414
Monoisotopic Mass510.91414
Topological Polar Surface Area75.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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