Dl-homocystine - ≥98% , CAS No.462-10-2

CAS: 462-10-2 Cat. No.: D184639 Molecular Weight: 268.4 EC Number: 207-323-8

GRADE & PURITY ≥98%

Synonyms

Butyric acid, 4,4'-dithiobis(2-amino- | DS-9173 | C8H16N2O4S2 | NSC 226570 | SY112616 | SCHEMBL224295 | SY026490 | C20788 | EN300-52797 | HOMOCYSTINE | 3C9F56DF-A143-4F06-81E2-50796E255EEB | 4,4'-disulfanediylbis(2-ammoniobutanoate) | ZTVZLYBCZNMWCF-UHFFF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Butyric acid, 4, 4'-dithiobis(2-amino- | DS-9173 | C8H16N2O4S2 | NSC 226570 | SY112616 | SCHEMBL224295 | SY026490 | C20788 | EN300-52797 | HOMOCYSTINE | 3C9F56DF-A143-4F06-81E2-50796E255EEB | 4, 4'-disulfanediylbis(2-ammoniobutanoate) | ZTVZLYBCZNMWCF-UHFFF

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181075
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181075
• Canonical Smiles: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
• IUPAC Name: 2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
• InChIKey: ZTVZLYBCZNMWCF-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
• Isomeric SMILES: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
• Alternate CAS: 870-93-9
• Molecular Weight: 268.4
• Reaxy-Rn: 1728581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Thia fatty acids Dicarboxylic acids and derivatives Dialkyldisulfides Amino acids Sulfenyl compounds Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Thia fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Organic disulfide - Amino acid - Dialkyldisulfide - Sulfenyl compound - Carboxylic acid - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: homocystines

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 268.400 g/mol
• XLogP3: -5.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 268.055 Da
• Monoisotopic Mass: 268.055 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 216.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yuewu Zhao, Jine Wang, Renjun Pei.  (2022)  Guest Molecules with Amino and Sulfhydryl Groups Enhance Photoluminescence by Reducing the Intermolecular Ligand-to-Metal Charge Transfer Process of Metal–Organic Frameworks.  Applied Sciences-Basel,  12  (22): (11467).  [PMID:] [10.3390/app122211467]

2. Erfei Dong, Ting Chen, Min Fang, Weiju Zhu, Cun Li.  (2022)  Construction of continuously enhanced fluorescent sensor for detection of glutathione in normal and cancer cells.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:36347165] [10.1016/j.saa.2022.122064]

3. Lili Zhang, Wen Duan, Yan Huang, Yuyu Zhang, Baoguo Sun, Dandan Pu, Yizhuang Tang, Chao Liu.  (2020)  Sensory taste properties of chicken (Hy-Line brown) soup as prepared with five different parts of the chicken.  INTERNATIONAL JOURNAL OF FOOD PROPERTIES,      [PMID:] [10.1080/10942912.2020.1828455]

4. Chen Xing, Jiang Guimei, Wang Zhili, Hong Shanni, Zhang Yuanyuan, Guo Yahui, Cheng Hui, Wang Jine, Pei Renjun.  (2015)  DNA sequence-dependent fluorescence of doxorubicin for turn-on detection of biothiols in human serum.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  408  (3): (683-693).  [PMID:26577084] [10.1007/s00216-015-9168-2]