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

CAS: 1215548-30-3 Cat. No.: C340494 Formula: C23H29ClN3O4 Peso molecolare: 444.95

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

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

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)OC)CC3=CC=CC=C3.Cl

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble to 100 mM in Water and to 100 mM in DMSO
• Peso molecolare: 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

XLogP3

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1215548-30-3, the molecular formula is C23H29ClN3O4, and the molecular weight is 444.95 g/mol. InChIKey DFVHCFCSCUCAPD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.