Hydroxyhomosildenafil - ≥95% , CAS No.139755-85-4

CAS: 139755-85-4 Cat. No.: H276052 分子式: C₂₃H₃₂N₆O₅S 分子量: 504.60

GRADE & PURITY ≥95%

Synonyms

Chronadalate LP | SCHEMBL18416781 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-; 1-Piperazineethanol, 4-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyri

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Lodenafil is a potent PDE5 inhibitor, with treatment of erectile dysfunction (ED)

Specifications

同義語

Chronadalate LP | SCHEMBL18416781 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-; 1-Piperazineethanol, 4-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyri

仕様と純度

≥95%

生化学的・生理学的メカニズム

Sildenafil analog. Phosphodiesterase type 5 (PDE5) inhibitor.

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥95%

名前と識別子

• パブケム・シド: 508815959
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/508815959
• カノニカル・スマイル: CCCC1=NN(C2=C1N=C(NC2=O)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-6H-pyrazolo[4,3-d]pyrimidin-7-one
• InChIKey: NEYKRKVLEWKOBI-UHFFFAOYSA-N
• INCHI: 1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
• 異性体SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C
• 分子量: 504.60
• Reaxy-Rn: 7674756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7674756&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Pyrazolopyrimidines Phenol ethers Phenoxy compounds Alkyl aryl ethers N-alkylpiperazines Pyrimidones Organosulfonamides Vinylogous amides Heteroaromatic compounds Sulfonyls Pyrazoles 1,2-aminoalcohols Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Pyrazolopyrimidine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - N-alkylpiperazine - Pyrimidine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Pyrazole - Azole - Heteroaromatic compound - Sulfonyl - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

PDE5A Tclin cGMP-specific 3',5'-cyclic phosphodiesterase (2 Activities)

Discover Target: PDE5A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

Discover Target: PDE5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDE3A Tclin Phosphodiesterase 3 (1749 Activities)

Discover Target: PDE3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 504.600 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 504.215 Da
• Monoisotopic Mass: 504.215 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 872.000
• 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