RS-127445 hydrochloride - ≥99% , CAS No.199864-86-3

CAS: 199864-86-3 Cat. No.: R1430428 Molecular Weight: 317.79 EC Number: 689-465-4 PubChem CID: 9905058

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

RS-127445 hydrochloride is a selective, high affinity, orally bioavailable 5-HT 2B receptor antagonist with a pK i of 9.5. RS-127445 hydrochloride shows 1000 fold selectivity for this receptor as compared to numerous other receptor and ion channel binding sites.

Specifications

Specifications & Purity

≥99%

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.Cl
• IUPAC Name: 4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine;hydrochloride
• InChIKey: MKJPYBJBPRFMHL-UHFFFAOYSA-N
• INCHI: 1S/C17H16FN3.ClH/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13;/h3-10H,1-2H3,(H2,19,20,21);1H
• Isomeric SMILES: CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.Cl
• WGK Germany: 3
• PubChem CID: 9905058
• Molecular Weight: 317.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Aminopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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