Name: Name:(4-Oxo-1,2,3-benzotriazin-3(4h)-yl)acetic acid
Brand: AABLOCKS
SKU: AA005YS3
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA005YS3

Chemical Name: (4-Oxo-1,2,3-benzotriazin-3(4h)-yl)acetic acid

CAS Number: 97609-01-3

Molecular Formula: C9H7N3O3

Molecular Weight: 205.1702

MDL Number: MFCD02935497

SMILES: OC(=O)Cn1nnc2c(c1=O)cccc2

Properties

Complexity: 316

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.4

Downstream Synthesis Route

CASUnavailable

97609-01-3

1929519-13-0

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2016/145218,2016,A1Locationinpatent:Paragraph0234;0235

[2]Reichard,HollyA.;Schiffer,HansH.;Monenschein,Holger;Atienza,JosephineM.;Corbett,Gerard;Skaggs,AltonW.;Collia,DeannaR.;Ray,WilliamJ.;Serrats,Jordi;Bliesath,Joshua;Kaushal,Nidhi;Lam,BettyP.;Amador-Arjona,Alejandro;Rahbaek,Lisa;McConn,DonavonJ.;Mulligan,VictoriaJ.;Brice,Nicola;Gaskin,PhilipL.R.;Cilia,Jackie;Hitchcock,Stephen[JournalofMedicinalChemistry,2021,vol.64,#15,p.11527-11542]

97609-01-3

76279-30-6

(S)-2-(4-oxobenzod1,2,3triazin-3(4H)-yl)-N-(1-o-tolylethyl)acetamide

[1]JournalofMedicinalChemistry,2021,vol.64,p.11527-11542

1168139-46-5

97609-01-3

(S)-2-(4-oxobenzod1,2,3triazin-3(4H)-yl)-N-(1-(p-tolyl)propyl)acetamide

[1]Reichard,HollyA.;Schiffer,HansH.;Monenschein,Holger;Atienza,JosephineM.;Corbett,Gerard;Skaggs,AltonW.;Collia,DeannaR.;Ray,WilliamJ.;Serrats,Jordi;Bliesath,Joshua;Kaushal,Nidhi;Lam,BettyP.;Amador-Arjona,Alejandro;Rahbaek,Lisa;McConn,DonavonJ.;Mulligan,VictoriaJ.;Brice,Nicola;Gaskin,PhilipL.R.;Cilia,Jackie;Hitchcock,Stephen[JournalofMedicinalChemistry,2021,vol.64,#15,p.11527-11542]

97609-01-3

138457-18-8

(S)-2-(4-oxobenzod1,2,3triazin-3(4H)-yl)-N-(1-(m-tolyl)ethyl)acetamide

[1]JournalofMedicinalChemistry,2021,vol.64,p.11527-11542

97609-01-3 | (4-Oxo-1,2,3-benzotriazin-3(4h)-yl)acetic acid