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13073-35-3 molecular structure
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(2S)-2-amino-4-(ethylsulfanyl)butanoic acid

ChemBase ID: 105936
Molecular Formular: C6H13NO2S
Molecular Mass: 163.23792
Monoisotopic Mass: 163.06669966
SMILES and InChIs

SMILES:
CCSCC[C@H](N)C(=O)O
Canonical SMILES:
CCSCC[C@@H](C(=O)O)N
InChI:
InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey:
GGLZPLKKBSSKCX-YFKPBYRVSA-N

Cite this record

CBID:105936 http://www.chembase.cn/molecule-105936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-4-(ethylsulfanyl)butanoic acid
IUPAC Traditional name
(.+-.)-ethionine
Synonyms
L-Ethionine
L-2-Amino-4-(ethylthio)butyric acid
S-Ethyl-L-homocysteine
(S)-2-Amino-4-(ethylthio)butanoic Acid
ETH
Ethionine
NSC 82393
S-Ethylhomocysteine
L-2-Amino-4-[ethylthio]butyric acid
L-ETHIONINE
DL-ETHIONINE
L-2-氨基-4-(乙硫基)丁酸
L-乙硫氨基酪酸
CAS Number
13073-35-3
67-21-0
EC Number
235-966-4
MDL Number
MFCD00002626
PubChem SID
24894397
162092627
PubChem CID
25674

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.6062443  H Acceptors
H Donor LogD (pH = 5.5) -1.936398 
LogD (pH = 7.4) -1.9391353  Log P -1.9361717 
Molar Refractivity 42.3838 cm3 Polarizability 16.90167 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
>260°C (dec.) expand Show data source
280 °C (dec.)(lit.) expand Show data source
280°C (decomposes) expand Show data source
Optical Rotation
[α]22/D +21.7°, c = 1 in 1 M HCl expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
ES6825300 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
~99% expand Show data source
≥99% (TLC) expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
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Linear Formula
C2H5SCH2CH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05205306 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02195170 external link
Purity: ~99%
Sigma Aldrich - E1260 external link
Biochem/physiol Actions
甲硫氨酸类似物,会干扰 DNA 的标准甲基化和其他甲基化途径,从而导致胰腺中毒和肝癌。但在动物研究中,也显示出与甲硫氨酸消耗的同步活动,以阻止甲硫氨酸依赖性肿瘤的生长和转移。
Sigma Aldrich - 219339 external link
Biochem/physiol Actions
An analog of methionine that interferes with the normal methylation of DNA and other methylation pathways, and induces pancreatic toxicity and liver cancer. However, in animal studies, it has also been shown to act synergistically with methionine-depletion to block the growth and metastasis of methionine-dependent tumors.
Packaging
5 g in glass bottle
Toronto Research Chemicals - E890435 external link
Ethionine-induced inhibition of protein synthesis and lowering of ATP level in the liver.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rotig, A., et al.: Lancet, 356, 391 (2000)
  • • Forsgren, M., et al.: Biochem. J., 382, 519 (2000)
  • • Johnson, A., et al.: J. Biol. Chem., 280, 31397 (2000)
  • • Horvath, R., et al.: Neurology, 66, 253 (2000)
  • • Mollet, M., et al.: J. Clin. Invest., 117, 765 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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