Talabostat mesylate - ≥98%(HPLC) , CAS No.150080-09-4

CAS: 150080-09-4 Cat. No.: T286953 Summenformel: C₁₀H₂₃BN₂O₆S Molekulargewicht: 310.18 PubChem CID: 11522448

GRADE & PURITY ≥98%(HPLC)

Synonyms

Talabostat mesylate | Talabostat mesilate | Val-boroPro | HY-13233A | SY013378 | Talabostat mesylate; Val-boroPro; PT100 | Talabostatmesylate | AB17749 | EX-A2166 | ((2R)-1-((2S)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid methanesulfonate | SMR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Talabostat mesylate | Talabostat mesilate | Val-boroPro | HY-13233A | SY013378 | Talabostat mesylate; Val-boroPro; PT100 | Talabostatmesylate | AB17749 | EX-A2166 | ((2R)-1-((2S)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid methanesulfonate | SMR

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Cell permeable: yes Secondary Target QPP, PEP and FAP Primary Target DPP-IV, DPP8 and DPP9 Reversible: yes Target IC50: 15 nM for DPP-II

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504766514

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766514

Kanonisches Lächeln

B(C1CCCN1C(=O)C(C(C)C)N)(O)O.CS(=O)(=O)O

IUPAC Name

[(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acid

InChIKey

OXYYOEIGQRXGPI-WSZWBAFRSA-N

INCHI

1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1

Isomere SMILES

B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O.CS(=O)(=O)O

Alternative CAS-Nummer

149682-77-9

PubChem CID

11522448

Molekulargewicht

310.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: Alpha amino acid amides N-acylpyrrolidines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Boronic acids Organic metalloid salts Azacyclic compounds Organic oxides Monoalkylboranes Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Valine or derivatives - Alpha-amino acid amide - N-acylpyrrolidine - Methanesulfonate - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Boronic acid derivative - Boronic acid - Carboxamide group - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Alkylborane - Carbonyl group - Monoalkylborane - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 31.02, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 31.02, Max Conc. mM: 100
• Molekulargewicht: 310.180 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 310.137 Da
• Monoisotopic Mass: 310.137 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 328.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3

Häufig gestellte Fragen

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

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 150080-09-4, the molecular formula is C10H23BN2O6S, and the molecular weight is 310.18 g/mol. InChIKey OXYYOEIGQRXGPI-WSZWBAFRSA-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.