sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate pentahydrate

• ChemBase ID: 102794
• Molecular Formular: C15H20I4NNaO9
• Molecular Mass: 888.92825
• Monoisotopic Mass: 888.72146751
• SMILES: O.O.O.O.O.[Na+].N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N.O.O.O.O.O.[Na+]
• InChI: InChI=1S/C15H11I4NO4.Na.5H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;;;;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;5*1H2/q;+1;;;;;/p-1/t12-;;;;;;/m0....../s1
• InChIKey: JMHCCAYJTTWMCX-QWPJCUCISA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate pentahydrate
• IUPAC Traditional name: sodium levothyroxine(1-) pentahydrate
• Synonyms: T4; Sodium levothyroxine; 3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-L-alanine sodium salt; L-THYROXINE SODIUM SALT PENTAHYDRATE; L-THYROXINE SODIUM SALT PENTAHYDRATE, γ-IRRADIATED; L-Thyroxine sodium salt pentahydrate; 3-[4-(4-羟基-3,5-二碘苯氧基)-3,5-二碘苯基]-L-丙氨酸 钠盐; 左旋甲状腺素钠; L-甲状腺素 钠盐 五水合物

Database IDs

• CAS Number: 6106-07-6
• EC Number: 200-221-4
• MDL Number: MFCD00149110
• Beilstein Number: 5721845
• PubChem SID: 162089281; 24899887; 24900041
• PubChem CID: 23665037

CALCULATED PROPERTIES

• Acid pKa: 0.27336746
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.722463
• LogD (pH = 7.4): 3.4409168
• Log P: 3.727307
• Molar Refractivity: 137.6251 cm^3
• Polarizability: 50.34098 Å^3
• Polar Surface Area: 95.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: cell culture medium: soluble0.1 mg/mL; H2O: soluble
• Apperance: lyophilized powder; powder
• Melting Point: 207-210 (dec.)(lit.); 207-210°C (decomposes)
• Optical Rotation: [α]20/D +16±1°, c = 2% in ethanol/1 M HCl (4:1); [α]20/D -6.6°, c = 3 in 1 M NaOH, C2H5OH, 1:2

Safety Information

• Storage Condition: 0°C; -20°C
• RTECS: YP2833760
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C; 2-8°C

Pharmacology Properties

• Gene Information: mouse ... Cnr2(12802)rat ... Cnr1(25248)

Product Information

• Purity: ≥97.0% (sum of enantiomers, HPLC); ≥98%; ≥98% (HPLC); 99%
• Potency: 5-50 ng/mL
• Suitability: suitable for cell culture
• Impurities: ~10% water
• Sterility: γ-irradiated
• Linear Formula: HOC6H2I2OC6H2I2CH2CH(NH2)COONa · 5H2O

DETAILS

MP Biomedicals - 02194583

Cell Culture Reagent
Sodium Salt
Crystalline
Pentahydrate

MP Biomedicals - 02194582

Cell Culture Reagent
γ-Irradiated
Sodium Salt
Crystalline
Pentahydrate

MP Biomedicals - 02103073

Sodium Salt
Crystalline
Pentahydrate

Sigma Aldrich - T2501

Biochem/physiol Actions
L甲状腺素 (T4) 和三碘代-L-甲状腺原氨酸 (T3) 是含碘的激素，由甲状腺滤泡细胞中的甲状腺球蛋白形成。这些激素对代谢率的刺激以及对生长发育的调节似乎归因于它们对 DNA 转录的作用，进而影响蛋白质的合成。
包装
1, 5 g in glass bottle

Sigma Aldrich - T0397

Biochem/physiol Actions
L甲状腺素 (T4) 和三碘代-L-甲状腺原氨酸 (T3) 是含碘的激素，由甲状腺滤泡细胞中的甲状腺球蛋白形成。这些激素对代谢率的刺激以及对生长发育的调节似乎归因于它们对 DNA 转录的作用，进而影响蛋白质的合成。
Reconstitution
加入 50mL 无菌培养基可制成 20μg/mL 的储存液。
Physical form
0°C 下为粉末状；分成小份冻存，以避免使用时重复冰冻/解冻，溶液在 2-8°C 下可稳定 30 天

Sigma Aldrich - T35009

Biochem/physiol Actions
L-Thyroxine (T4) and triiodo-L-thyronine (T3) are iodine-containing hormones produced from thyroglobulin in the thyroid follicular cells. The stimulation of metabolic rate and regulation of growth and development by these hormones appear to be due to their effects on DNA transcription and thus, protein synthesis.

Sigma Aldrich - 89430

Application
Literatur s. 89405, L-Thyroxine
Biochem/physiol Actions
L-Thyroxine (T4) and triiodo-L-thyronine (T3) are iodine-containing hormones produced from thyroglobulin in the thyroid follicular cells. The stimulation of metabolic rate and regulation of growth and development by these hormones appear to be due to their effects on DNA transcription and thus, protein synthesis.