Prazosin-d8 - ≥98% , CAS No.1006717-55-0

CAS: 1006717-55-0 Cat. No.: P333822 Molecular Weight: 391.45 PubChem CID: 25216777

GRADE & PURITY ≥98%

Synonyms

AKOS030243268 | MS-26529 | HY-B0193S | Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]-2-furanyl- | DTXSID50649145 | Prazosin D8 | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Prazosin-d8 is a deuterium-labeled analog of Prazosin . Prazosin is an adrenergic α, α|2B|-adrenoceptor and a potent melatonin MT3 receptor antagonist. A study investigated the putative inhibitory effect of prazosin on changes evoked by a NMDA receptor antagonist, MK-801 within the Syrian hamster hypothalamus. This study reported that prazosin was a potent and selective α1-adrenoceptor antagonist and was able to supress MK-801 evoked changes, without affecting basal dopamine release in nucleus accumbens. Additionally, in this study prazosin was reported to block MK-801 evoked locomotor stimulation with little affect on basal locomotor activity.

Specifications

Synonyms

AKOS030243268 | MS-26529 | HY-B0193S | Methanone, [4-(4-amino-6, 7-dimethoxy-2-quinazolinyl)-1-piperazinyl-2, 2, 3, 3, 5, 5, 6, 6-d8]-2-furanyl- | DTXSID50649145 | Prazosin D8 | [4-(4-amino-6, 7-dimethoxyquinazolin-2-yl)-2, 2, 3, 3, 5, 5, 6, 6-octadeuteriopiperazin-1-yl]

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC
• IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
• InChIKey: IENZQIKPVFGBNW-YEBVBAJPSA-N
• INCHI: 1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)/i5D2,6D2,7D2,8D2
• Isomeric SMILES: [2H]C1(C(N(C(C(N1C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)([2H])[2H])([2H])[2H])C(=O)C4=CC=CO4)([2H])[2H])[2H]
• PubChem CID: 25216777
• Molecular Weight: 391.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Quinazolinamines 2-heteroaryl carboxamides Anisoles Dialkylarylamines Furoic acid and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinazolinamine - Diazanaphthalene - Quinazoline - 2-heteroaryl carboxamide - Furoic acid or derivatives - Anisole - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Imidolactam - Benzenoid - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

• Molecular Weight: 391.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 391.21 Da
• Monoisotopic Mass: 391.21 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 544.000
• Isotope Atom Count: 8
• Defined Atom Stereocenter Count: 0
• 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