JFD01307SC - ≥95%(HPLC) , CAS No.51070-56-5

CAS: 51070-56-5 Cat. No.: J170683 분자식: C₆H₁₁NO₄S 분자량: 193.22

등급 & 순도 ≥95%(HPLC)

Synonyms

NLJKAAYXSDTMSI-UHFFFAOYSA-N | CDS1_000151 | [(1,1-dioxidotetrahydrothien-3-yl)amino]acetic acid | AKOS016039817 | FT-0610778 | Acetic acid, 2-[(tetrahydro-3-thienyl)amino]-, S,S-dioxide | DivK1c_001191 | HY-W028047 | (1,1-Dioxo-tetrahydro-thiophen-3-ylami

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

JFD01307SC may be used in glutamine synthetase-mediated cell signaling studies. 

사양

동의어

NLJKAAYXSDTMSI-UHFFFAOYSA-N | CDS1_000151 | [(1,1-dioxidotetrahydrothien-3-yl)amino]acetic acid | AKOS016039817 | FT-0610778 | Acetic acid, 2-[(tetrahydro-3-thienyl)amino]-, S,S-dioxide | DivK1c_001191 | HY-W028047 | (1,1-Dioxo-tetrahydro-thiophen-3-ylami

사양 및 순도

≥95%(HPLC)

생화학 및 생리적 메커니즘

JFD01307SC is a glutamine synthetase inhibitor and anti-tuberculosis agent. It is believed to act as a mimic of L-Glutamate and thus target enzymes involved in glutamine biosynthesis. JFD01307SC showed activity against M. tuberculosis with MIC in the rang

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%(HPLC)

이름과 식별자

Pubchem Sid

504761271

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761271

정식 스마일

C1CS(=O)(=O)CC1NCC(=O)O

IUPAC Name

2-[(1,1-dioxothiolan-3-yl)amino]acetic acid

InChIKey

NLJKAAYXSDTMSI-UHFFFAOYSA-N

INCHI

1S/C6H11NO4S/c8-6(9)3-7-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)

이성체 SMILES

C1CS(=O)(=O)CC1NCC(=O)O

분자량

193.22

Reaxy-Rn

8544

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8544&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
            • Level7 Alpha amino acids

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Thiolanes Sulfones Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Sulfone - Thiolane - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• 설명: 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: 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

화학 및 물리적 특성

• 용해성: DMSO: ≥5 mg/mL at ~60 °C
• 분자량: 193.220 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 193.041 Da
• Monoisotopic Mass: 193.041 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

How should this product be stored?

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

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 51070-56-5, the molecular formula is C6H11NO4S, and the molecular weight is 193.22 g/mol. InChIKey NLJKAAYXSDTMSI-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.