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1039455-84-9,MFCD28502211
Catalog No.:AA01EONR

1039455-84-9 | COTI-2

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$32.00   $23.00
- +
5mg
98%
in stock  
$79.00   $56.00
- +
10mg
98%
in stock  
$114.00   $80.00
- +
25mg
98%
in stock  
$165.00   $116.00
- +
50mg
98%
in stock  
$239.00   $167.00
- +
100mg
98%
in stock  
$392.00   $275.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EONR
Chemical Name:
COTI-2
CAS Number:
1039455-84-9
Molecular Formula:
C19H22N6S
Molecular Weight:
366.4832
MDL Number:
MFCD28502211
SMILES:
S=C(N1CCN(CC1)c1ccccn1)N/N=C/1\CCCc2c1nccc2
Properties
Computed Properties
 
Complexity:
516  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  

Downstream Synthesis Route
Iron(III)nitratenonahydrate 
  1039455-84-9   
C38H44FeN12S2(3+)*3NO3(1-)*3H2O 

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

copper(II)choridedihydrate 
  1039455-84-9   
C19H22Cl2CuN6S 

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

Literature

Title: Duffy MJ, et al. Mutant p53 as a target for cancer treatment. Eur J Cancer. 2017 Sep;83:258-265.

Title: Salim KY, et al. COTI-2, a novel small molecule that is active against multiple human cancer cell lines in vitro and in vivo. Oncotarget. 2016 Jul 5;7(27):41363-41379.

Title: Lindemann A, et al. COTI-2, A Novel Thiosemicarbazone Derivative, Exhibits Antitumor Activity in HNSCC through p53-dependent and -independent Mechanisms. Clin Cancer Res. 2019 Sep 15;25(18):5650-5662.

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SDS
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Tags:1039455-84-9 Molecular Formula|1039455-84-9 MDL|1039455-84-9 SMILES|1039455-84-9 COTI-2
Catalog No.: AA01EONR
1039455-84-9,MFCD28502211
1039455-84-9 | COTI-2
Pack Size： 1mg
Purity： 98%
in stock
$32.00 $23.00
Pack Size： 5mg
Purity： 98%
in stock
$79.00 $56.00
Pack Size： 10mg
Purity： 98%
in stock
$114.00 $80.00
Pack Size： 25mg
Purity： 98%
in stock
$165.00 $116.00
Pack Size： 50mg
Purity： 98%
in stock
$239.00 $167.00
Pack Size： 100mg
Purity： 98%
in stock
$392.00 $275.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EONR
Chemical Name: COTI-2
CAS Number: 1039455-84-9
Molecular Formula: C19H22N6S
Molecular Weight: 366.4832
MDL Number: MFCD28502211
SMILES: S=C(N1CCN(CC1)c1ccccn1)N/N=C/1\CCCc2c1nccc2
Properties
Complexity: 516  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 1  
XLogP3: 2.5  
Downstream Synthesis Route
Iron(III)nitratenonahydrate 
  1039455-84-9   
C38H44FeN12S2(3+)*3NO3(1-)*3H2O 

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

copper(II)choridedihydrate 
  1039455-84-9   
C19H22Cl2CuN6S 

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

1039455-82-7    1039455-84-9 

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

56826-69-8    87555-65-5    1039455-84-9 

[1]BormioNunes,JuliaH.;Hager,Sonja;Mathuber,Marlene;Pósa,Vivien;Roller,Alexander;Enyedy,ÉvaA.;Stefanelli,Alessia;Berger,Walter;Keppler,BernhardK.;Heffeter,Petra;Kowol,ChristianR.[JournalofMedicinalChemistry,2020,vol.63,#22,p.13719-13732]

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