ChemicalBook--->CAS DataBase List--->4604-41-5

4604-41-5

4604-41-5 Structure

4604-41-5 Structure
IdentificationBack Directory
[Name]

O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine
[CAS]

4604-41-5
[Synonyms]

3,3'-L-Diiodothyronine
3,3'-Diiodo-L-thyronine
Levothyroxine Impurity 13
Levothyroxine EP Impurity J
3,5-Diiodo-L-tyrosinedihydrae
3-Iodo-O-(4-hydroxy-3-iodophenyl)-L-tyrosine
O-(3-Iodo-4-hydroxyphenyl)-3-iodo-L-tyrosine
O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine
L-Tyrosine,O-(4-hydroxy-3-iodophenyl)-3-iodo-
3-[4-(4-Hydroxy-3-iodophenoxy)-3-iodophenyl]-L-alanine
(S)-α-Amino-4-[(4-hydroxy-3-iodophenyl)oxy]-3-iodobenzenepropanoic acid
(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
(2S)-2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo-phenyl]propionic acid
(2S)-2-azanyl-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo-phenyl]propanoic acid
[EINECS(EC#)]

225-005-7
[Molecular Formula]

C15H13I2NO4
[MDL Number]

MFCD01863378
[MOL File]

4604-41-5.mol
[Molecular Weight]

525.077
Chemical PropertiesBack Directory
[Appearance]

Off-White Powder
[Melting point ]

178-180°C
[Boiling point ]

520.7±50.0 °C(Predicted)
[density ]

2.095±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Aqueous Base (Slightly)
[form ]

Solid
[pka]

2.17±0.20(Predicted)
[color ]

Off-White to Beige
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1
[InChIKey]

CPCJBZABTUOGNM-LBPRGKRZSA-N
[SMILES]

C(O)(=O)[C@H](CC1=CC=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)N
Hazard InformationBack Directory
[Chemical Properties]

Off-White Powder
[Uses]

Of interest for the early detection and treatment of congenital or drug-induced hypothyroidism in the developing human fetus
[Description]

3,3''-Diiodo-L-thyronine is a metabolite of thyroid hormone that is also known as T2 or 3,3’-T2. It is derived enzymatically from triiodothyronine isoforms T3 and reverse T3. T2 and its analog 3,5-T2 stimulate the activity of cytochrome c oxidase by blocking inhibition by ATP.
[Definition]

ChEBI: 3,3'-diiodo-L-thyronine is a 3,3'-diiodothyronine. It has a role as a human metabolite.
[IC 50]

Human Endogenous Metabolite; COX
[References]

[1] G PINNA. 3,3’-Diiodothyronine concentrations in the sera of patients with nonthyroidal illnesses and brain tumors and of healthy subjects during acute stress.[J]. Journal of Clinical Endocrinology & Metabolism, 1998, 83 9: 3071-3077. DOI: 10.1210/jcem.83.9.5080
[2] F. GOGLIA . Interaction of diiodothyronines with isolated cytochromec oxidase[J]. FEBS Letters, 1994, 346 2: Pages 295-298. DOI: 10.1016/0014-5793(94)00476-5
[3] S ARNOLD  B K  F Goglia. 3,5-Diiodothyronine binds to subunit Va of cytochrome-c oxidase and abolishes the allosteric inhibition of respiration by ATP.[J]. European journal of biochemistry, 1998, 252 2: 325-330. DOI: 10.1046/j.1432-1327.1998.2520325.x
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
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