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N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID is a peptidyl thiol ester compound that is primarily known for its potential uses in medicinal and biochemical research. It has been studied for its potential to react with certain enzymes in the body and is generally used as a research tool in laboratory settings.

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  • 138079-74-0 Structure
  • Basic information

    1. Product Name: N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID
    2. Synonyms: (R)-CARBOXYMETHYL-N-BENZOYLTHIOLALANINATE;N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID;(((2R)-2-(BENZOYLAMINO)-1-OXOPROPYL)THIO)-ACETIC ACID;benzoyl-alanyl-thioglycolic acid;(R)-2-(2-benzamidopropanoylthio)acetic acid
    3. CAS NO:138079-74-0
    4. Molecular Formula: C12H13NO4S
    5. Molecular Weight: 267.3
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 138079-74-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 433°Cat760mmHg
    3. Flash Point: 215.7°C
    4. Appearance: /
    5. Density: g/cm3
    6. Vapor Pressure: 1.54E-11mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 3.07±0.10(Predicted)
    11. CAS DataBase Reference: N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID(138079-74-0)
    13. EPA Substance Registry System: N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID(138079-74-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 138079-74-0(Hazardous Substances Data)

138079-74-0 Usage

Uses

Used in Medicinal Research:
N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID is used as a research compound for investigating its potential interactions with enzymes such as leucine aminopeptidase. This enzyme is a protein-coding gene that may affect several biological processes, including protein metabolic process, viral process, and proteolysis.
Used in Biochemical Research:
N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID is used as a research tool for studying its in vitro interactions with enzymes, which could potentially lead to a better understanding of its full biochemical nature and potential applications in medicine and molecular biology. More extensive research is required to fully explore these possibilities.

Check Digit Verification of cas no

The CAS Registry Mumber 138079-74-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,0,7 and 9 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 138079-74:
(8*1)+(7*3)+(6*8)+(5*0)+(4*7)+(3*9)+(2*7)+(1*4)=150
150 % 10 = 0
So 138079-74-0 is a valid CAS Registry Number.
InChI:InChI=1/C12H13NO4S/c1-8(12(17)18-7-10(14)15)13-11(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)/p-1/t8-/m1/s1

138079-74-0Downstream Products

138079-74-0Relevant articles and documents

Synthesis of an enantiopure thioester as key substrate for screening the sensitivity of penicillin binding proteins to inhibitors

Simon, Justine F.,Bouillez, André,Frère, Jean-Marie,Luxen, André,Zervosen, Astrid

, p. 22 - 31 (2016/10/31)

The synthesis of the enantiopure thioester (R)-2-(2-benzamidopropanoylthio)acetic acid was developed. After the exploration of several activation methods, reaction conditions were found for the formation of the thioester bond in the presence of propylphosphonic anhydride with high enantioselectivity (ee > 99%). The thioester activity of Penicillin Binding Proteins is helpful in research programs looking for new lead structures to overcome the problem of bacterial resistance.

Synthesis and SAR of thioester and thiol inhibitors of IMP-1 metallo-β-lactamase

Greenlee, Mark L.,Laub, Joanne B.,Balkovec, James M.,Hammond, Milton L.,Hammond, Gail G.,Pompliano, David L.,Epstein-Toney, Jeffrey H.

, p. 2549 - 2554 (2007/10/03)

Potent thioester and thiol inhibitors of IMP-1 metallo-β-lactamase have been synthesized employing a solid-phase Mitsunobu reaction as the key step.

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