Udenafil - Moligand™, ≥98% , Phosphodiesterase 5A inhibitor, CAS No.268203-93-6, Phosphodiesterase 5A inhibitor

CAS: 268203-93-6 Cat. No.: U333275 Summenformel: C₂₅H₃₆N₆O₄S Molekulargewicht: 516.66 PubChem CID: 135413547

QUALITÄT & REINHEIT Moligand™, ≥98%

Synonyms

(S)-2-tert-butoxycarbonylamino-3-(4-hydroxyphenyl)propionic acid methyl ester|DA 8159|UDENAFIL [WHO-DD]|3-{1-methyl-7-oxo-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzene-1-sulfonamide|UDENAFIL [INN]|5-[2-propyloxy-5-[2-(1-methyl-2-pyrrolidinyl)ethylaminosulfonyl]phenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-one|5-(2-Propyloxy-5-(1-methyl-2-pyrollidinylethylamidosulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo(4,3-d)pyrimidine-7-one|UDENAFIL [USAN]|Udenafil|Zydena|3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide|3-(1-METHYL-7-OXO-3-PROPOXY-4,7-DIHYDRO-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-N-(2-(1-METHYLPYRROLIDIN-2-YL)ETHYL)-4-PROPOXYBENZENESULFONAMIDE|UDENAFIL [MI]|3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-4-propoxy-benzenesulfonamide|Udenafil (USAN/INN)|UDENAFIL [MART.]|Udenafil [USAN:INN]|Benzenesulfonamide, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-4-propoxy-; Benzenesulfonamide, 3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methyl-2-pyr|3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide|3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-4-propoxybenzenesulfonamide|BENZENESULFONAMIDE, 3-(4,7-DIHYDRO-1-METHYL-7-OXO-3-PROPOXY-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-N-(2-(1-METHYL-2-PYRROLIDINYL)ETHYL)-4-PROPOXY-|3-(1-METHYL-7-OXO-3-PROPYL-4,7-DIHYDRO-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-N-(2-((2RS)- 1-METHYLPYRROLIDIN-2-YL)ETHYL)-4-PROPOXYBENZENESULFONAMIDE

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Udenafil is an oral phosphodiesterase 5 inhibitor.

Spezifikationen

Synonyme

(S)-2-tert-butoxycarbonylamino-3-(4-hydroxyphenyl)propionic acid methyl ester | DA 8159 | UDENAFIL [WHO-DD] | 3-{1-methyl-7-oxo-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzene-1-sulfonamide | UDENAFIL [INN] | 5-[2-propyloxy-5-[2-(1-methyl-2-pyrrolidinyl)ethylaminosulfonyl]phenyl]-1-me Show more

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Udenafil (DA-8159) is an orally active, cGMP-competitive, potent and selective phosphodiesterase type 5 (PDE5) inhibitor (cellular PDE5 activity IC50 = 5.84/8.25 nM in rabbit/human platelets; IC50 = 53.3 nM/PDE6, 870 nM/PDE1, 52 μM/PDE3,101 μM/PDE2). Uden

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Phosphodiesterase 5A inhibitor

Reinheit

≥98%

Produkteigenschaften

pKa

pKₐ: 3.5 (Predicted)

ALogP

3

Namen und Kennungen

Pubchem Sid

528769950

Kanonisches Lächeln

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C

IUPAC Name

3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide

InChIKey

IYFNEFQTYQPVOC-UHFFFAOYSA-N

INCHI

1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)

Isomere SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C

PubChem CID

135413547

Molekulargewicht

516.66

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Pyrimidones N-alkylpyrrolidines Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Pyrazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Organosulfonic acid amide - N-alkylpyrrolidine - Pyrimidine - Azole - Pyrrolidine - Vinylogous amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Pyrazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

PDE5A Tclin cGMP-specific 3',5'-cyclic phosphodiesterase (0 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform, and methanol.
• Schmelzpunkt (°C): 154.0-155.0° C
• Molekulargewicht: 516.700 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 516.252 Da
• Monoisotopic Mass: 516.252 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 893.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1