Letosteine - Moligand™,≥98%(mixture of cis and trans) , CAS No.53943-88-7

CAS: 53943-88-7 Cat. No.: L352386 분자식: C₁₀H₁₇NO₄S₂ 분자량: 279.38 EC 번호: 258-879-3

GRADE & PURITY Moligand™, ≥98%(mixture of cis and trans)

Synonyms

4-Thiazolidinecarboxylic acid, 2-(2-((2-ethoxy-2-oxoethyl)thio)ethyl)- | Letosteine (INN) | LETOSTEINE [MART.] | LETOSTEINE [WHO-DD] | H10643 | EINECS 258-879-3 | Letosteinum [INN-Latin] | UNII-6MVF9U95DW | Viscotiol (TN) | HY-107355 | A923520 | 2-(2-((Ca

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

4-Thiazolidinecarboxylic acid, 2-(2-((2-ethoxy-2-oxoethyl)thio)ethyl)- | Letosteine (INN) | LETOSTEINE [MART.] | LETOSTEINE [WHO-DD] | H10643 | EINECS 258-879-3 | Letosteinum [INN-Latin] | UNII-6MVF9U95DW | Viscotiol (TN) | HY-107355 | A923520 | 2-(2-((Ca

사양 및 순도

Moligand™,≥98%(mixture of cis and trans)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%(mixture of cis and trans)

제품 특성

• pKa: pKa: 2.05

이름과 식별자

• 정식 스마일: CCOC(=O)CSCCC1NC(CS1)C(=O)O
• IUPAC Name: 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethyl]-1,3-thiazolidine-4-carboxylic acid
• InChIKey: IKOCLISPVJZJEA-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO4S2/c1-2-15-9(12)6-16-4-3-8-11-7(5-17-8)10(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)
• 이성체 SMILES: CCOC(=O)CSCCC1NC(CS1)C(=O)O
• 분자량: 279.38
• Reaxy-Rn: 999728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=999728&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Thiazolidines Carboxylic acid esters Amino acids Thiohemiaminal derivatives Sulfenyl compounds Dialkylthioethers Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Thiazolidine - Carboxylic acid ester - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (1 g/L) at 25 °C.
• 굴절률: n20D1.55
• 끓는점(°C): 470° C at 760 mmHg
• 녹는점(°C): 136-140° C
• 분자량: 279.400 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 279.06 Da
• Monoisotopic Mass: 279.06 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 275.000
• 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

자주 묻는 질문

What is the isomeric composition of this product?

This product is supplied at ≥98%, mixture of cis and trans. Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53943-88-7, the molecular formula is C10H17NO4S2, and the molecular weight is 279.38 g/mol. InChIKey IKOCLISPVJZJEA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.