Catalog No.:AA007RYG

187235-08-1 | (S)-2-Nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-ol

Name: Name:(S)-2-Nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-ol
Brand: AABLOCKS
SKU: AA007RYG
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250mg

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$185.00 $130.00

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97%

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$455.00 $319.00

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98%

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$1,152.00 $806.00

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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:

AA007RYG

Chemical Name:

(S)-2-Nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-ol

CAS Number:

187235-08-1

Molecular Formula:

C6H7N3O4

Molecular Weight:

185.1375

MDL Number:

MFCD08436173

SMILES:

[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)O

Properties

Computed Properties

Complexity:

218

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

XLogP3:

-0.4

Downstream Synthesis Route

187235-08-1

112257-12-2

4-2-(6S-2-nitro-6,7-dihydro-5H-imidazo2,1-b1,3oxazin-6-yloxy)-acetyl-piperazine-1-carboxylicacidtert-butylester

[1]Patent:WO2008/8480,2008,A2.Locationinpatent:Page/Pagecolumn63-64

187235-08-1

21101-63-3

(S)-2-nitro-6-((4-((trifluoromethyl)thio)benzyl)oxy)-6,7-dihydro-5Himidazo2,1-b1,3oxazine

[1]CurrentPatentAssignee:GOVERNMENTOFTHEUNITEDSTATES;Novartis(w/oSandoz);NOVARTISAG-WO2007/75872,2007,A2Locationinpatent:Page/Pagecolumn64-65

187235-08-1

589-15-1

1188331-12-5

[1]Locationinpatent:experimentalpartPalmer,BrianD.;Thompson,AndrewM.;Sutherland,HamishS.;Blaser,Adrian;Kmentova,Iveta;Franzblau,ScottG.;Wan,Baojie;Wang,Yuehong;Ma,Zhenkun;Denny,WilliamA.[JournalofMedicinalChemistry,2010,vol.53,#1,p.282-294]

[2]CurrentPatentAssignee:TBALLIANCEINC-WO2011/14774,2011,A1Locationinpatent:Page/Pagecolumn30

[3]CurrentPatentAssignee:TBALLIANCEINC-US2012/28973,2012,A1Locationinpatent:Page/Pagecolumn12

[4]CurrentPatentAssignee:TENNORTHERAPEUTICSLTD.-WO2009/120789,2009,A1Locationinpatent:Page/Pagecolumn61

[5]Cooper,ChristopherB.;Denny,WilliamA.;Ding,CharlesZ.;Ding,Jun;He,Shijie;Lu,Yu;Lynch,AnthonySimon;Ma,Zhenkun;Upton,AnnaM.;Wan,Dawei;Wang,Xiaomei;Yuan,Ying;Zhang,Qian;Zhuang,Zhijun[Molecules,2020,vol.25,#10]

187235-08-1

138500-85-3

1188329-66-9

[1]Patent:WO2009/120789,2009,A1.Locationinpatent:Page/Pagecolumn55

187235-08-1

76283-09-5

1188335-21-8

[1]Patent:WO2011/14774,2011,A1.Locationinpatent:Page/Pagecolumn35

[2]Patent:US2012/28973,2012,A1.Locationinpatent:Page/Pagecolumn14

[3]Patent:WO2009/120789,2009,A1.Locationinpatent:Page/Pagecolumn86;87

[4]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3804-3809

Literature

Title: Synthesis and structure-activity studies of biphenyl analogues of the tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).

Journal: Journal of medicinal chemistry 20100114

Title: Structure-activity relationships of antitubercular nitroimidazoles. 1. Structural features associated with aerobic and anaerobic activities of 4- and 5-nitroimidazoles.

Journal: Journal of medicinal chemistry 20090312

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SDS