Valiltramiprosate - ≥98% , Beta amyloid A4 protein stabiliser, CAS No.1034190-08-3, Beta amyloid A4 protein stabiliser

CAS: 1034190-08-3 Cat. No.: V648369 Molecular Weight: 238.30 PubChem CID: 25008296

GRADE & PURITY ≥98%

Synonyms

ALZ-801 | 3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid | VALILTRAMIPROSATE [INN] | NRM-8499 | HY-117259 | BLU8499 | 3-(valylamino)-1-propanesulfonic acid | 1-Propanesulfonic acid, 3-(((2S)-2-amino-3-methyl-1-oxobutyl)amino)- | 3-((2S)-2

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

ALZ-801 is a potent and orally available small-molecule β-amyloid (Aβ) anti-oligomer and aggregation inhibitor, valine-conjugated proagent of Tramiprosate with substantially improved PK properties and gastrointestinal tolerability compared with the parent compound ALZ-801 is an advanced and markedly improved candidate for the treatment of alzheimer’s disease .

In Vivo

ALZ-801 (oral administration; 172?mg/kg; single dose) exhibits mean AUCt values of 58,758 and? 5841 ng/ml.h in plasma and brain, respectively. The ALZ-801: Tramiprosate ratio in plasma and brain is 1.8 and 3.1, respectively in male CD-1 mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:β-amyloid

Specifications

Synonyms

ALZ-801 | 3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid | VALILTRAMIPROSATE [INN] | NRM-8499 | HY-117259 | BLU8499 | 3-(valylamino)-1-propanesulfonic acid | 1-Propanesulfonic acid, 3-(((2S)-2-amino-3-methyl-1-oxobutyl)amino)- | 3-((2S)-2

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

ALZ-801 is a potent and orally available small-molecule β-amyloid (Aβ) anti-oligomer and aggregation inhibitor, valine-conjugated proagent of Tramiprosate with substantially improved PK properties and gastrointestinal tolerability compared with the parent

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

STABILISER

Mechanism of action

Beta amyloid A4 protein stabiliser

Purity

≥98%

Product Properties

• ALogP: -3

Names and Identifiers

• Canonical Smiles: CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N
• IUPAC Name: 3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid
• InChIKey: NRZRFNYKMSAZBI-ZETCQYMHSA-N
• INCHI: 1S/C8H18N2O4S/c1-6(2)7(9)8(11)10-4-3-5-15(12,13)14/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13,14)/t7-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N
• PubChem CID: 25008296
• Molecular Weight: 238.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - Alpha-amino acid amide - Fatty amide - N-acyl-amine - Fatty acyl - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : 30 mg/mL (125.89 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 238.310 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.099 Da
• Monoisotopic Mass: 238.099 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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