CFM 1571 hydrochloride , CAS No.1215548-30-3

CAS: 1215548-30-3 Cat. No.: C340494 Molecular Weight: 444.95

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

CFM 1571 hydrochloride is soluble guanylyl cyclase (sGC) activator (EC|50|= 5.49 μM). Does not activate adenylyl cyclase, shows no significant inhibition of phosphodiesterases and displays minimal inhibition of iNOS (25%) and nNOS (17%). CFM 1571 hydrochloride inhibits collagen-stimulated platelet aggregation|in vitro|(IC|50|= 2.84 μM).

Specifications

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)OC)CC3=CC=CC=C3.Cl
• IUPAC Name: 2-benzyl-5-[3-(dimethylamino)propoxy]-N-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
• InChIKey: DFVHCFCSCUCAPD-UHFFFAOYSA-N
• INCHI: 1S/C23H28N4O3.ClH/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19;/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28);1H
• Isomeric SMILES: CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)OC)CC3=CC=CC=C3.Cl
• Molecular Weight: 444.95
• Reaxy-Rn: 39251839
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39251839&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Methoxyanilines Pyrazole-5-carboxamides Phenoxy compounds Methoxybenzenes Anisoles 2-heteroaryl carboxamides Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Methoxyaniline - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Anisole - Pyrazole-5-carboxamide - Methoxybenzene - Alkyl aryl ether - Pyrazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = 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

• Solubility: Soluble to 100 mM in Water and to 100 mM in DMSO
• Molecular Weight: 445.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 444.193 Da
• Monoisotopic Mass: 444.193 Da
• Topological Polar Surface Area: 68.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 505.000
• Isotope Atom Count: 0
• 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: 2

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