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125-13-3,MFCD00022794
Catalog No.:AA000MVV

125-13-3 | Oxyphenisatine

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1g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000MVV
Chemical Name:
Oxyphenisatine
CAS Number:
125-13-3
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
MDL Number:
MFCD00022794
SMILES:
Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2
NSC Number:
59814
Properties
Computed Properties
 
Complexity:
442  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Inagaki[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1933,vol.53,p.686,696;dtsch.Ref.S.133][ChemischesZentralblatt,1933,vol.104,#II,p.2133]

125-13-3    100-05-0   
CASUnavailable 

[1]Ziegleretal.[ScientiaPharmaceutica,1949,vol.17,p.37,41]

125-13-3    541-41-3   
CASUnavailable 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-DE406210,1924,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-DE447539,1927,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1693][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1693]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-DE447539,1927,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1693][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1693]

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-DE447539,1927,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1693][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1693]

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-DE482435,1929,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.16,p.2519,2521][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.16,p.2519,2521]CurrentPatentAssignee:ROCHEHOLDINGAG-DE406210,1924,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412]

[5]CurrentPatentAssignee:ROCHEHOLDINGAG-DE482435,1929,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.16,p.2519,2521][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.16,p.2519,2521]CurrentPatentAssignee:ROCHEHOLDINGAG-DE406210,1924,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412]

[6]CurrentPatentAssignee:ROCHEHOLDINGAG-DE482435,1929,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.16,p.2519,2521][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.16,p.2519,2521]CurrentPatentAssignee:ROCHEHOLDINGAG-DE406210,1924,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412]

125-13-3    98-88-4   
CASUnavailable 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-DE406210,1924,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1412]

Literature

Title: Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Journal: PLoS computational biology 20111201

Title: Ornidazole-induced autoimmune hepatitis.

Journal: The Turkish journal of gastroenterology : the official journal of Turkish Society of Gastroenterology 20111001

Title: Novel small molecule drugs inhibit tumor cell metabolism and show potent anti-tumorigenic potential.

Journal: Cancer chemotherapy and pharmacology 20110701

Title: Synthesis and antitumor effect in vitro and in vivo of substituted 1,3-dihydroindole-2-ones.

Journal: Journal of medicinal chemistry 20101014

Title: Early detection of response to experimental chemotherapeutic Top216 with [18F]FLT and [18F]FDG PET in human ovary cancer xenografts in mice.

Journal: PloS one 20100101

Title: Syntheses and antiproliferative evaluation of oxyphenisatin derivatives.

Journal: Bioorganic & medicinal chemistry letters 20070515

Title: Hepatic drug metabolism and adverse hepatic drug reactions.

Journal: Veterinary pathology 19750101

Title: Morrison BL, et al. Oxyphenisatin acetate (NSC 59687) triggers a cell starvation response leading to autophagy, mitochondrial dysfunction, and autocrine TNFα-mediated apoptosis. Cancer Med. 2013 Oct;2(5):687-700.

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SDS
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