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Chemical structure of 3,5-Diiodothyropropionic Acid

GC18696

3,5-Diiodothyropropionic Acid

Also known as 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

3,5-Diiodothyropropionic acid (DITPA) is an inotropic thyroid hormone analogue of L-thyroxine that binds to the thyroid hormone receptors TRα and TRβ (Kas = 2·4 and 4·06 x 107 M-1, respectively, for human recombinant receptors)

ChemicalCAS1158-10-7MW510.1FormulaC15H12I2O4
CAS number
1158-10-7
Molecular weight
510.1
Formula
C15H12I2O4
Solubility
DMSO ： 50 mg/mL (98·03 mM; Need ultrasonic)
InChIKey
WONYMNWUJVKVII-UHFFFAOYSA-N
Catalogue number
GC18696
Brand
GLPBIO
Computed properties PubChem CID 160565 · XLogP 4.2 · TPSA 66.8 Ų · H-bond donors 2
XLogP
4.2
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

SMILES C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I

Computed descriptors from PubChem (CID 160565), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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