Catalog No.:AA00G7AR

840506-29-8 | Acelarin

Name: Name:Acelarin
Brand: AABLOCKS
SKU: AA00G7AR
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1mg

≥98% (mixture of diastereomers)

in stock

$53.00 $37.00

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5mg

≥98% (mixture of diastereomers)

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$230.00 $161.00

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10mg

≥98% (mixture of diastereomers)

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00G7AR

Chemical Name:

Acelarin

CAS Number:

840506-29-8

Molecular Formula:

C25H27F2N4O8P

Molecular Weight:

580.4744

MDL Number:

MFCD27987942

SMILES:

O=C([C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1

Properties

Computed Properties

Complexity:

1020

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

1.4

Downstream Synthesis Route

benzyl((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-((tert-butoxycarbonyl)oxy)-4,4-difluorotetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate

840506-29-8

[1]Slusarczyk,Magdalena;Lopez,MonicaHuerta;Balzarini,Jan;Mason,Malcolm;Jiang,WenG.;Blagden,Sarah;Thompson,Emely;Ghazaly,Essam;McGuigan,Christopher[JournalofMedicinalChemistry,2014,vol.57,#4,p.1531-1542]

[2]Zheng,Zihua;Groaz,Elisabetta;Snoeck,Robert;DeJonghe,Steven;Herdewijn,Piet;Andrei,Graciela[ACSMedicinalChemistryLetters,2021,vol.12,#1,p.88-92]

[3]CurrentPatentAssignee:BEIJINGMEIBEITAPHARMACEUTICALRES-CN109134568,2019,ALocationinpatent:Paragraph0032;0033;0040;0041

770-12-7

840506-29-8

[2]CurrentPatentAssignee:NUCANAPLC-WO2016/12781,2016,A1

[3]CurrentPatentAssignee:BRIGHTGENEBIOMEDICALTECHNOLOGYCOLTD-US2018/244710,2018,A1

[4]CurrentPatentAssignee:BEIJINGMEIBEITAPHARMACEUTICALRES-CN109134568,2019,A

[5]Zheng,Zihua;Groaz,Elisabetta;Snoeck,Robert;DeJonghe,Steven;Herdewijn,Piet;Andrei,Graciela[ACSMedicinalChemistryLetters,2021,vol.12,#1,p.88-92]

183370-70-9

840506-29-8

C35H43F2N4O12P

840506-29-8

[1]CurrentPatentAssignee:NUCANAPLC-WO2016/12781,2016,A1Locationinpatent:Page/Pagecolumn16-17

Literature

Title: Application of ProTide technology to gemcitabine: a successful approach to overcome the key cancer resistance mechanisms leads to a new agent (NUC-1031) in clinical development.

Journal: Journal of medicinal chemistry 20140227

Title: Slusarczyk M, et al. Application of ProTide technology to gemcitabine: a successful approach to overcome the key cancer resistance mechanisms leads to a new agent (NUC-1031) in clinical development. J Med Chem. 2014 Feb 27;57(4):1531-42.

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