Grundinformationen
- CAS
300-39-0- Standard-SMILES
N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O- InChIKey
NYPYHUZRZVSYKL-ZETCQYMHSA-N- Summenformel
- C9H9I2NO3
- Durchschnittliche Molmasse
- 432,98 g/mol
- Monoisotopische Masse
- 432,86719
Namen und Bezeichner
- Bevorzugter Name
- 3',5'-Diiodo-L-tyrosine
- IUPAC
- (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
- Lokaler Name
- 3,5-Diiod-L-tyrosin
- Englischer Name
- 3,5-Diiodo-L-tyrosine dihydrate
- Summenformel
- C9H9I2NO3
- Molmasse
- 432.98
Namen und Synonyme
3,5-Diiodo-L-tyrosine300-39-0L-3,5-DiiodotyrosineL-Diiodotyrosine(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acidL-Tyrosine, 3,5-diiodo-Tyrosine, 3,5-diiodo-, L-DTXSID00486803',5'-Diiodo-L-tyrosineCHEBI:15768DTXCID6028606(2S)-2-azaniumyl-3-(4-hydroxy-3,5-diiodophenyl)propanoate
Weitere Namen anzeigen
Liothyronine sodium EP Impurity BAGONTANDITYRIN3,5-Diiodo-LIODOGORGOIC ACID
RefChem:1065392206-092-0Diiodotyrosine(S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acidH-Tyr(3,5-I2)-OHMFCD000165423,5-L-Diiodotyrosine3,5-Iodo-L-tyrosine
Datenbank-Bezeichner
- CAS
300-39-0- PubChem CID
- 9305
- DTXSID
DTXSID0048680- ChEMBL
CHEMBL1236469- ChEBI
CHEBI:15768
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 83,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 227
Experimentelle und physikochemische Eigenschaften
Solubility
0.617 mg/mL at 25 °C
>64.9 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionSolid
Collision Cross Section
159.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；165.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；171.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 °C · 200 °C (dec.)(lit.)
- Siedepunkt
- 546.5 °C · 546.5°C (rough estimate)
- Dichte
- 2.405 · 2.405±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.2 ° · 1.2 ° (C=5, 1mol/L HCl)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Aqueous Acid (Slightly), DMSO (Slightly)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (2 of 14) of reports.
Warning
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 14 reports by companies.；There are 3 notifications provided by 12 of 14 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24532
Other Safety InformationIMAP assessments - L-Tyrosine, 3,5-diiodo-: Environment tier I assessment；IMAP assessments - L-Tyrosine, 3,5-diiodo-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；STOT SE 3 (85.7%)
Regulatorische Informationen
Chemie und Industrie
Pharmakologische Informationen
ATC Code
H - Systemic hormonal preparations, excl. sex hormones and insulins；H03 - Thyroid therapy；H03B - Antithyroid preparations；H03BX - Other antithyroid preparations；H03BX01 - Diiodotyrosine
QH - Systemic hormonal preparations, excl. sex hormones and insulin；QH03 - Thyroid therapy；QH03B - Antithyroid preparations；QH03BX - Other antithyroid preparations；QH03BX01 - Diiodotyrosine
Cellular LocationsCytoplasm
Metabolite PathwaysThyroid hormone synthesis；Tyrosine metabolism
Verwendung und Herstellung
General Manufacturing InformationL-Tyrosine, 3,5-diiodo-: INACTIVE
Anwendungen
BeschreibungDiiodotyrosine 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.
VerwendenIt is used for hyperthyroid forms of endemic and sporadic goiters, diffuse, toxic goiters, and other illnesses accompanied by thyrotoxicity.
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