Name: Name:IPI-549
Brand: AABLOCKS
SKU: AA00ASAK
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00ASAK

Chemical Name: IPI-549

CAS Number: 1693758-51-8

Molecular Formula: C30H24N8O2

Molecular Weight: 528.5640

MDL Number: MFCD30533720

SMILES: Cn1ncc(c1)C#Cc1cccc2c1c(=O)n(c(c2)[C@@H](NC(=O)c1c(N)nn2c1nccc2)C)c1ccccc1

Properties

Complexity: 1060

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 40

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.2

Downstream Synthesis Route

1466563-97-2

39806-89-8

2-amino-N-(1S)-1-8-2-(1-methylpyrazol-4-yl)ethynyl-1-oxo-2-phenylisoquinolin-3-ylethylpyrazolo1,5-apyrimidine-3-carboxamide

[1]Evans,CatherineA.;Liu,Tao;Lescarbeau,André;Nair,SomarajanJ.;Grenier,Louis;Pradeilles,JohanA.;Glenadel,Quentin;Tibbitts,Thomas;Rowley,AnnM.;Dinitto,JonathanP.;Brophy,ErinE.;O'Hearn,ErinL.;Ali,JanidA.;Winkler,DavidG.;Goldstein,StanleyI.;O'Hearn,Patrick;Martin,ChristianM.;Hoyt,JenniferG.;Soglia,JohnR.;Cheung,Culver;Pink,MelissaM.;Proctor,JenniferL.;Palombella,VitoJ.;Tremblay,MartinR.;Castro,AlfredoC.[ACSMedicinalChemistryLetters,2016,vol.7,#9,p.862-867]

[2]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/51244,2015,A1Locationinpatent:Paragraph00658

[3]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/143012,2015,A1Locationinpatent:Paragraph001314

[4]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2017/48702,2017,A1Locationinpatent:Paragraph00991

1693758-51-8

CASUnavailable

[1]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/51244,2015,A1Locationinpatent:Paragraph00703

[2]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/143012,2015,A1Locationinpatent:Paragraph001359

1350643-72-9

2-amino-N-(1S)-1-8-2-(1-methylpyrazol-4-yl)ethynyl-1-oxo-2-phenylisoquinolin-3-ylethylpyrazolo1,5-apyrimidine-3-carboxamide

[1]Patent:WO2015/51244,2015,A1

[2]Patent:WO2015/143012,2015,A1

[3]ACSMedicinalChemistryLetters,2016,vol.7,p.862-867

[4]Patent:WO2017/48702,2017,A1

[5]Patent:WO2017/48702,2017,A1

1383056-73-2

1693758-51-8

[1]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/51244,2015,A1

[2]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/143012,2015,A1

[3]Evans,CatherineA.;Liu,Tao;Lescarbeau,André;Nair,SomarajanJ.;Grenier,Louis;Pradeilles,JohanA.;Glenadel,Quentin;Tibbitts,Thomas;Rowley,AnnM.;Dinitto,JonathanP.;Brophy,ErinE.;O'Hearn,ErinL.;Ali,JanidA.;Winkler,DavidG.;Goldstein,StanleyI.;O'Hearn,Patrick;Martin,ChristianM.;Hoyt,JenniferG.;Soglia,JohnR.;Cheung,Culver;Pink,MelissaM.;Proctor,JenniferL.;Palombella,VitoJ.;Tremblay,MartinR.;Castro,AlfredoC.[ACSMedicinalChemistryLetters,2016,vol.7,#9,p.862-867]

21327-86-6

1693758-51-8

[1]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/51244,2015,A1

[2]CurrentPatentAssignee:INFINITYPHARMACEUTICALSINC-WO2015/143012,2015,A1

Literature fold

Title: Discovery of a Selective Phosphoinositide-3-Kinase (PI3K)-γ Inhibitor (IPI-549) as an Immuno-Oncology Clinical Candidate.

Journal: ACS medicinal chemistry letters20160908

Title: Evans CA, et al. Discovery of a Selective Phosphoinositide-3-Kinase (PI3K)-γ Inhibitor (IPI-549) as an Immuno-Oncology Clinical Candidate. ACS Med Chem Lett. 2016 Jul 22;7(9):862-7.

Title: De Henau O, et al. Overcoming resistance to checkpoint blockade therapy by targeting PI3Kγ in myeloid cells. Nature. 2016 Nov 17;539(7629):443-447.

1693758-51-8 | IPI-549