Basic information
- CAS
300-39-0- Standard SMILES
NC(Cc1cc(I)c(O)c(I)c1)C(=O)O- InChIKey
NYPYHUZRZVSYKL-UHFFFAOYSA-N- Molecular formula
- C9H9I2NO3
- Average molar mass
- 432.98 g/mol
- Monoisotopic mass
- 432.86719
Names & identifiers
- Preferred name
- 3,5-Diiodotyrosine
- IUPAC
- 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
- English name
- 3,5-Diiodo-L-tyrosine dihydrate
- Molecular formula
- C9H9I2NO3
- Molecular weight
- 432.98
Names & synonyms
66-02-43,5-DIIODOTYROSINEDTXSID50110067RefChem:1065918DTXCID80653272-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid3,5-Diiodo-DL-tyrosineIodogorgoic acidJodgorgonCemiodItirIodogorgonic acid
Show more names
(S)-2-AMino-3-(4-hydroxy-3,5-diiodophenyl)propanoic aciddiiodotyrosineL-3,5-DiioDOTyrosineLiothyronine sodium EP Impurity B3,5-Diiodo-LL-DiiodotyrosineH-TYR(3,5-I2)-OH
JodgorgosaeureApothyrinFlaianinaAgontanDityrinDiidotyrosineGorgoic acid, diiodo-Gorgonic acid, diiodo-
Database identifiers
- CAS
300-39-0、620-59-7、66-02-4- PubChem CID
- 6181
- DTXSID
DTXSID50110067- ChEMBL
CHEMBL2003070- UNII
- ST90Q60YF3
- EC Number
- 200-620-3、210-643-0
- Nikkaji
- J1.063.536E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Collision Cross Section165.2 Ų [M+Na]+
Physicochemical properties
- Melting point
- 200 °C · 200 °C (dec.)(lit.)
- alpha
- -20.7 · -20.7 º (c=2.5, 0.1N NaOH/H2O)
- Boiling point
- 546.5 °C · 546.5°C (rough estimate)
- Density
- 2.405 · 2.405±0.06 g/cm3(Predicted)
- refractive index
- 1.2 ° · 1.2 ° (C=5, 1mol/L HCl)
- storage temp.
- 2 · 2-8°C
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly)
- form
- crystalline
- pka
- 2.12 · 2.12(at 25℃)
- color
- white
- Water Solubility
- slightly soluble
- Sensitive
- Light Sensitive
- Major Application
- pharmaceutical
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Tyrosine, 3,5-diiodo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29225090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Applications
DescriptionDiiodotyrosine does not possess pronounced hormonal activity. However, it stops production of thyrotropic hormone by the anterior lobe of the hypophysis, which activates thyroid gland activity.
UsesIt is used for hyperthyroid forms of endemic and sporadic goiters, diffuse, toxic goiters, and other illnesses accompanied by thyrotoxicity.
Uses3,5-Diiodo-L-tyrosine is a reactant used in the synthesis of fluorescent unnatural amino acids bearing stilbene or vinylene backbones. Also used in the discovery of potent heterodimeric antagonists of inhibitor of Apoptosis proteins with prolonged anti-tumor activity.
Uses3,5-Diiodo-L-tyrosine Dihydrate is a thyroid hormone receptor agonist.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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