TLK117 - Moligand™,≥98% , CAS No.152684-53-2

CAS: 152684-53-2 Cat. No.: T648792 분자식: C₂₃H₂₇N₃O₆S 분자량: 473.54 PubChem CID: 444051

GRADE & PURITY Moligand™, ≥98%

Synonyms

VWW | Glycine, N-[N-L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl]-D-2-phenyl- | L-Gamma-Glutamyl-S-Benzyl-N-[(S)-Carboxy(Phenyl)methyl]-L-Cysteinamide | TER117 | 10gs | MS-28779 | Glycine, L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl-2-phenyl-, (2R)- |

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

TLK117, the active metabolite of TLK199, selective inhibits Glutathione S-transferase P1–1 (GSTP1-1) with a K i of 0.4 μM for GSTP. TLK117 also competitively inhibits glyoxalase I with a K i of 0.56 μM.

Specifications

동의어

VWW | Glycine, N-[N-L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl]-D-2-phenyl- | L-Gamma-Glutamyl-S-Benzyl-N-[(S)-Carboxy(Phenyl)methyl]-L-Cysteinamide | TER117 | 10gs | MS-28779 | Glycine, L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl-2-phenyl-, (2R)- |

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

TLK117, the active metabolite of TLK199, selective inhibits Glutathione S-transferase P1–1 (GSTP1-1) with a K i of 0.4 μM for GSTP. TLK117 also competitively inhibits glyoxalase I with a K i of 0.56 μM.

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=CC=C(C=C1)CSCC(C(=O)NC(C2=CC=CC=C2)C(=O)O)NC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(R)-carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: ZPSKWMFLCHMEOY-CMKODMSKSA-N
• INCHI: 1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1
• 이성체 SMILES: C1=CC=C(C=C1)CSC[C@@H](C(=O)N[C@H](C2=CC=CC=C2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• 대체 CAS: 152684-53-2
• PubChem CID: 444051
• MeSH 용어: ezatiotsat;gamma-Glu-S-BzCys-PhGly diethyl ester;gamma-glutamyl-S-(benzyl)cysteinyl-phenylglycine diethyl ester;T.199;Telintra;TER 199;TER-199;TLK 117;TLK 199;TLK-117;TLK-199;TLK117;TLK199
• 분자량: 473.54

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives L-alpha-amino acids Benzene and substituted derivatives Dicarboxylic acids and derivatives N-acyl amines Amino acids Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Sulfenyl compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Fatty amide - Benzenoid - Fatty acyl - N-acyl-amine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Thioether - Dialkylthioether - Sulfenyl compound - Organosulfur compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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 : 150 mg/mL (316.76 mM; Need ultrasonic)
• 감도: Moisture Sensitive
• 분자량: 473.500 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 473.162 Da
• Monoisotopic Mass: 473.162 Da
• Topological Polar Surface Area: 184.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 665.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• 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 purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 152684-53-2, the molecular formula is C23H27N3O6S, and the molecular weight is 473.54 g/mol. InChIKey ZPSKWMFLCHMEOY-CMKODMSKSA-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.