Name: Name:2-Bromo-5-methylimidazo[2,1-b][1,3,4]thiadiazole
Brand: AABLOCKS
SKU: AA002M06
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002M06

Chemical Name: 2-Bromo-5-methylimidazo[2,1-b][1,3,4]thiadiazole

CAS Number: 230637-04-4

Molecular Formula: C5H4BrN3S

Molecular Weight: 218.0744

MDL Number: MFCD16834300

SMILES: Cc1cn2c(n1)sc(n2)Br

Properties

Complexity: 145

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.3

Downstream Synthesis Route

78-95-5

37566-39-5

230637-04-4

[1]CurrentPatentAssignee:SPANISHNATIONALCANCERRESEARCHCENTER-WO2012/20215,2012,A1Locationinpatent:Page/Pagecolumn70

[2]CurrentPatentAssignee:FUNDACIONCENTRONACIONALDEINVESTIGACIONESONCOLOGICASCARLOSIIIES-WO2010/112874,2010,A1Locationinpatent:Page/Pagecolumn45

[3]Abas,SitiNurdiana;Aguiar,AnnaCarolineCampos;Ang,Xiaoman;Blaquiere,Nicole;Bodenreider,Christophe;Campbell,Simon;Campo,Brice;Chan,Katherine;Chan,WaiLing;Chen,Yen-Liang;Cooper,RolandA.;Crespo-Fernandez,Benigno;Diagana,ThierryT.;Ding,Mei;Fang,Eric;Gamo,FranciscoJavier;Guiguemde,Armand;Huang,Richard;Jain,JayPrakash;Kirrane,Tom;Lakshminarayana,SureshB.;Lanshoeft,Christian;Lim,Jessie;Liu,Yugang;Mata,Anne-Catherine;Pei,Luying;Qumber,Jafri;Rosenthal,PhilipJ.;Sarko,Christopher;Schulz,Hanna;Shu,Wei;Sim,Sandra;Simon,Oliver;Straimer,Judith;Taft,BenjaminR.;Thompson,Christopher;Tumwebaze,Patrick;Vankadara,Subramanyam;Waldron,Grace;Yokokawa,Fumiaki;Zou,Bin;Angulo-Barturen,Iñigo;Jiménez-Díaz,MaríaBelén;Wagner,Jürgen[JournalofMedicinalChemistry,2022,vol.65,#5,p.3798-3813]

[4]Kong,Yi;Li,Shanshan;Liu,Shangde;Xie,Roujie;Yuan,Duo;Zhu,Xiong[EuropeanJournalofMedicinalChemistry,2021,vol.225]

230637-04-4

122775-35-3

1246372-36-0

[1]CurrentPatentAssignee:FUNDACIONCENTRONACIONALDEINVESTIGACIONESONCOLOGICASCARLOSIIIES-WO2010/112874,2010,A1Locationinpatent:Page/Pagecolumn45-46

269410-22-2

230637-04-4

1246372-46-2

[1]CurrentPatentAssignee:FUNDACIONCENTRONACIONALDEINVESTIGACIONESONCOLOGICASCARLOSIIIES-WO2010/112874,2010,A1Locationinpatent:Page/Pagecolumn50

230637-04-4

1337919-16-0

[1]CurrentPatentAssignee:SPANISHNATIONALCANCERRESEARCHCENTER-WO2011/121317,2011,A1Locationinpatent:Page/Pagecolumn75

[2]CurrentPatentAssignee:SPANISHNATIONALCANCERRESEARCHCENTER-WO2012/20215,2012,A1Locationinpatent:Page/Pagecolumn70

[3]Abas,SitiNurdiana;Aguiar,AnnaCarolineCampos;Ang,Xiaoman;Blaquiere,Nicole;Bodenreider,Christophe;Campbell,Simon;Campo,Brice;Chan,Katherine;Chan,WaiLing;Chen,Yen-Liang;Cooper,RolandA.;Crespo-Fernandez,Benigno;Diagana,ThierryT.;Ding,Mei;Fang,Eric;Gamo,FranciscoJavier;Guiguemde,Armand;Huang,Richard;Jain,JayPrakash;Kirrane,Tom;Lakshminarayana,SureshB.;Lanshoeft,Christian;Lim,Jessie;Liu,Yugang;Mata,Anne-Catherine;Pei,Luying;Qumber,Jafri;Rosenthal,PhilipJ.;Sarko,Christopher;Schulz,Hanna;Shu,Wei;Sim,Sandra;Simon,Oliver;Straimer,Judith;Taft,BenjaminR.;Thompson,Christopher;Tumwebaze,Patrick;Vankadara,Subramanyam;Waldron,Grace;Yokokawa,Fumiaki;Zou,Bin;Angulo-Barturen,Iñigo;Jiménez-Díaz,MaríaBelén;Wagner,Jürgen[JournalofMedicinalChemistry,2022,vol.65,#5,p.3798-3813]

230637-04-4

98-80-6

6-methyl-2-phenylimidazo2,1-b1,3,4thiadiazole

[1]Copin,Chloe;Henry,Nicolas;Buron,Frederic;Routier,Sylvain[EuropeanJournalofOrganicChemistry,2012,#16,p.3079-3083]

[2]Copin,Chloe;Henry,Nicolas;Buron,Frederic;Routier,Sylvain[EuropeanJournalofOrganicChemistry,2012,#34,p.6804-6806]

230637-04-4 | 2-Bromo-5-methylimidazo[2,1-b][1,3,4]thiadiazole