Hydroxythiohomo Sildenafil - ≥95% , CAS No.479073-82-0

CAS: 479073-82-0 Cat. No.: H341277 Molecular Weight: 520.67

GRADE & PURITY ≥95%

Synonyms

Hydroxythiohomo Sildenafil-protocol with the exact weight | 4-[[3-(4,7-Dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-1-piperazineethanol; | Hydroxyhomosildenafil thione | AKOS030242133 | Q27266620 | HYDROXYH

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Hydroxythiohomo Sildenafil is a thio analog of Sildenafil which has been reported to be a PDE5 inhibitor. Sildenafil is a selective inhibitor of type 5 cGMP phosphodiesterase (PDE5), which catalyzes teh hydrolysis of cGMP, an important secondary messenger molecule in a variety of cellular processes. Sildenafil has been reported to enhance angiogenesis in rat models of stroke and also has been reported to be a mild vasodilator. Sildenafil has been shown to prevent indomethacin-induced small intestinal ulceration formation throuh an NO/cGMP-dependent mechanism.

Specifications

Synonyms

Hydroxythiohomo Sildenafil-protocol with the exact weight | 4-[[3-(4, 7-Dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4, 3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-1-piperazineethanol; | Hydroxyhomosildenafil thione | AKOS030242133 | Q27266620 | HYDROXYH

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765116
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765116
• Canonical Smiles: CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C
• IUPAC Name: 5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione
• InChIKey: XZVSAQIQEGFWQS-UHFFFAOYSA-N
• INCHI: 1S/C23H32N6O4S2/c1-4-6-18-20-21(27(3)26-18)23(34)25-22(24-20)17-15-16(7-8-19(17)33-5-2)35(31,32)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,34)
• Isomeric SMILES: CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C
• Molecular Weight: 520.67
• Reaxy-Rn: 60820954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60820954&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Pyrazolopyrimidines Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrimidinethiones N-alkylpiperazines Organosulfonamides Sulfonyls Heteroaromatic compounds Pyrazoles Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Pyrazolopyrimidine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Pyrimidinethione - Piperazine - Pyrimidine - 1,4-diazinane - Organosulfonic acid amide - Pyrazole - Azole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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: Chloroform (Slightly), Methanol (Slightly)
• Melt Point(°C): 174-177° C (lit.)
• Molecular Weight: 520.700 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 520.193 Da
• Monoisotopic Mass: 520.193 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 874.000
• 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: 1