Firibastat - ≥98% , Aminopeptidase A inhibitor, CAS No.648927-86-0, Aminopeptidase A inhibitor

CAS: 648927-86-0 Cat. No.: F651723 Molecular Weight: 368.51 EC Number: 817-496-7 PubChem CID: 24851355

GRADE & PURITY ≥98%

Synonyms

638KY4573I | HY-109058 | 1-Butanesulfonic acid, 4,4'-dithiobis(3-amino-, (3S,3'S)- | Q27263587 | UNII-638KY4573I | (S)-3-amino-4-(((S)-2-amino-4-sulfobutyl)disulfaneyl)butane-1-sulfonic acid | Firibastat | FIRIBASTAT [INN] | (3S,3'S)-4,4'-Dithiobis(3-amin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Firibastat (QGC001), an orally active brain penetrating proagent of EC33, is a first-in-class brain aminopeptidase A (APA) inhibitor ( K i =200 nM). Firibastat selectively and specifically inhibits conversion of brain angiotensin-II into angiotensin-III and decreases blood pressure in hypertensive rats.

In Vivo

When given orally, Firibastat (0.1-30 mg/kg; p.o.) crosses the gastrointestinal and blood-brain barriers, enters the brain, and generates two active molecules of EC33 which inhibit brain APA activity, blocking brain angiotensin III formation, and decrease blood pressure for several hours in hypertensive rats. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Normotensive and hypertensive DOCA-salt rats Dosage: 0.1-30 mg/kg Administration: P.o. Result: Resulting in a dose-dependent decrease in mean arterial blood pressure (MABP).

Form:Solid

Specifications

Synonyms

638KY4573I | HY-109058 | 1-Butanesulfonic acid, 4, 4'-dithiobis(3-amino-, (3S, 3'S)- | Q27263587 | UNII-638KY4573I | (S)-3-amino-4-(((S)-2-amino-4-sulfobutyl)disulfaneyl)butane-1-sulfonic acid | Firibastat | FIRIBASTAT [INN] | (3S, 3'S)-4, 4'-Dithiobis(3-amin

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Firibastat (QGC001), an orally active brain penetrating proagent of EC33, is a first-in-class brain aminopeptidase A (APA) inhibitor ( K i =200 nM). Firibastat selectively and specifically inhibits conversion of brain angiotensin-II into angiotensin-III a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Mechanism of action

Aminopeptidase A inhibitor

Purity

≥98%

Product Properties

• ALogP: -6.9

Names and Identifiers

• Canonical Smiles: C(CS(=O)(=O)O)C(CSSCC(CCS(=O)(=O)O)N)N
• IUPAC Name: (3S)-3-amino-4-[[(2S)-2-amino-4-sulfobutyl]disulfanyl]butane-1-sulfonic acid
• InChIKey: HJPXZXVKLGEMGP-YUMQZZPRSA-N
• INCHI: 1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1
• Isomeric SMILES: C(CS(=O)(=O)O)[C@@H](CSSC[C@H](CCS(=O)(=O)O)N)N
• Alternate CAS: 648927-86-0
• PubChem CID: 24851355
• MeSH Entry Terms: 4,4'-dithio(bis(3-aminobutyl sulfonic acid));firibastat;RB 150;RB-150;RB150;RB150 cpd
• Molecular Weight: 368.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Dialkyldisulfides Sulfenyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organic disulfide - Dialkyldisulfide - Sulfenyl compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

Chemical and Physical Properties

• Solubility: H2O : 33.33 mg/mL (90.45 mM; Need ultrasonic)
• Molecular Weight: 368.500 g/mol
• XLogP3: -6.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 368.02 Da
• Monoisotopic Mass: 368.02 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 410.000
• 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: 1