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1668553-26-1,MFCD28399118
Catalog No.:AA0039TB

1668553-26-1 | 7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1h-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1h-indole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$17.00   $12.00
- +
5mg
98%
in stock  
$37.00   $26.00
- +
10mg
98%
in stock  
$63.00   $44.00
- +
25mg
98%
in stock  
$103.00   $72.00
- +
50mg
98%
in stock  
$195.00   $137.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0039TB
Chemical Name:
7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1h-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1h-indole-2-carboxylic acid
CAS Number:
1668553-26-1
Molecular Formula:
C46H55N7O7S
Molecular Weight:
850.0366
MDL Number:
MFCD28399118
SMILES:
Cc1nn(c(c1c1cccc2c1n(CCN1CCOCC1)c(c2CCCOc1cccc2c1cccc2)C(=O)O)COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N(C)C)C
Properties
Computed Properties
 
Complexity:
1500  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
16  
XLogP3:
3.6  

Downstream Synthesis Route

[1]Papatzimas,JamesW.;Gorobets,Evgueni;Maity,Ranjan;Muniyat,MirIshruna;Maccallum,JustinL.;Neri,Paola;Bahlis,NizarJ.;Derksen,DarrenJ.[JournalofMedicinalChemistry,2019,vol.62,#11,p.5522-5540]

[1]Papatzimas,JamesW.;Gorobets,Evgueni;Maity,Ranjan;Muniyat,MirIshruna;Maccallum,JustinL.;Neri,Paola;Bahlis,NizarJ.;Derksen,DarrenJ.[JournalofMedicinalChemistry,2019,vol.62,#11,p.5522-5540]

Literature

Title: Leverson JD, et al. Potent and selective small-molecule MCL-1 inhibitors demonstrate on-target cancer cell killing activity as single agents and in combination with ABT-263 (navitoclax). Cell Death Dis. 2015 Jan 15;6:e1590.

Title: Qing Wang, et al. A-1210477, a selective MCL-1 inhibitor, overcomes ABT-737 resistance in AML. Oncol Lett. 2019 Nov;18(5):5481-5489.

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Tags:1668553-26-1 Molecular Formula|1668553-26-1 MDL|1668553-26-1 SMILES|1668553-26-1 7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1h-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1h-indole-2-carboxylic acid