Name: Name:5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Brand: AABLOCKS
SKU: AA001BLC
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA001BLC

Chemical Name: 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one

CAS Number: 139755-85-4

Molecular Formula: C23H32N6O5S

Molecular Weight: 504.6024

MDL Number: MFCD00908400

SMILES: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C

Properties

Form: Solid

MP: >182°C (dec.)

Storage: Keep in dry area;2-8℃;

Complexity: 872

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 35

Hydrogen Bond Acceptor Count: 9

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 9

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.8

Downstream Synthesis Route

103-76-4

139756-21-1

139755-85-4

[1]Terrett,NicholasK.;Bell,AndrewS.;Brown,David;Ellis,Peter[BioorganicandMedicinalChemistryLetters,1996,vol.6,#15,p.1819-1824]

42926-52-3

139755-85-4

[1]BioorganicandMedicinalChemistryLetters,1996,vol.6,p.1819-1824

139756-02-8

139755-85-4

[1]Terrett,NicholasK.;Bell,AndrewS.;Brown,David;Ellis,Peter[BioorganicandMedicinalChemistryLetters,1996,vol.6,#15,p.1819-1824]

[2]Sthalam,VinayKumar;Mahajan,Bhushan;Karra,PurushothamReddy;Singh,AjayK.;Pabbaraja,Srihari[RSCAdvances,2021,vol.12,#1,p.326-330]

139756-03-9

139755-85-4

[1]Terrett,NicholasK.;Bell,AndrewS.;Brown,David;Ellis,Peter[BioorganicandMedicinalChemistryLetters,1996,vol.6,#15,p.1819-1824]

139755-85-4 | 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one