Home > Compound List > Compound details
6106-07-6 molecular structure
click picture or here to close

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 and InChIs

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

Cite this record

CBID:102794 http://www.chembase.cn/molecule-102794.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
6106-07-6
EC Number
200-221-4
MDL Number
MFCD00149110
Beilstein Number
5721845
PubChem SID
24900041
162089281
24899887
PubChem CID
23665037

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.27336746  H Acceptors
H Donor LogD (pH = 5.5) 3.722463 
LogD (pH = 7.4) 3.4409168  Log P 3.727307 
Molar Refractivity 137.6251 cm3 Polarizability 50.34098 Å3
Polar Surface Area 95.61 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
cell culture medium: soluble0.1 mg/mL expand Show data source
H2O: soluble expand Show data source
Apperance
lyophilized powder expand Show data source
powder expand Show data source
Melting Point
207-210 (dec.)(lit.) expand Show data source
207-210°C (decomposes) expand Show data source
Optical Rotation
[α]20/D +16±1°, c = 2% in ethanol/1 M HCl (4:1) expand Show data source
[α]20/D -6.6°, c = 3 in 1 M NaOH, C2H5OH, 1:2 expand Show data source
Storage Condition
0°C expand Show data source
-20°C expand Show data source
RTECS
YP2833760 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Gene Information
mouse ... Cnr2(12802)rat ... Cnr1(25248) expand Show data source
Purity
≥97.0% (sum of enantiomers, HPLC) expand Show data source
≥98% expand Show data source
≥98% (HPLC) expand Show data source
99% expand Show data source
Potency
5-50 ng/mL expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
Impurities
~10% water expand Show data source
Sterility
γ-irradiated expand Show data source
Linear Formula
HOC6H2I2OC6H2I2CH2CH(NH2)COONa · 5H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich MP Biomedicals MP Biomedicals
Sigma Aldrich - T0397 external link
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 - T2501 external link
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 - T35009 external link
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 external link
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.
MP Biomedicals - 02103073 external link
Sodium Salt
Crystalline
Pentahydrate
MP Biomedicals - 02194583 external link
Cell Culture Reagent
Sodium Salt
Crystalline
Pentahydrate
MP Biomedicals - 02194582 external link
Cell Culture Reagent
γ-Irradiated
Sodium Salt
Crystalline
Pentahydrate

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle