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1818314-88-3,MFCD31746874
Catalog No.:AA01FNMW

1818314-88-3 | BMS-1166

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1mg
≥98%
in stock  
$96.00   $67.00
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5mg
≥98%
in stock  
$425.00   $297.00
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10mg
≥98%
in stock  
$750.00   $525.00
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25mg
98%
in stock  
$1,438.00   $1,007.00
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100mg
98%
in stock  
$4,529.00   $3,170.00
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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:
AA01FNMW
Chemical Name:
BMS-1166
CAS Number:
1818314-88-3
Molecular Formula:
C36H33ClN2O7
Molecular Weight:
641.1094
MDL Number:
MFCD31746874
SMILES:
N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1C[C@@H](C[C@@H]1C(=O)O)O)Cl
Properties
Computed Properties
 
Complexity:
1060  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
10  
XLogP3:
3.6  

Downstream Synthesis Route
1818314-88-3    2791447-59-9   
CASUnavailable 

[1]Butera,Roberto;Dömling,Alexander;Gadina,Louis;Holak,TadA.;Kocik-Krol,Justyna;Magiera-Mularz,Katarzyna;Rodriguez,Ismael;Shaabani,Shabnam;Skalniak,Lukasz;Surmiak,Ewa;Wang,Zefeng;Zarganes-Tzitzikas,Tryfon;Zhang,Bidong[Molecules,2022,vol.27,#11]

[1]Butera,Roberto;Dömling,Alexander;Gadina,Louis;Holak,TadA.;Kocik-Krol,Justyna;Magiera-Mularz,Katarzyna;Rodriguez,Ismael;Shaabani,Shabnam;Skalniak,Lukasz;Surmiak,Ewa;Wang,Zefeng;Zarganes-Tzitzikas,Tryfon;Zhang,Bidong[Molecules,2022,vol.27,#11]

CASUnavailable 
  1818314-88-3    2154342-45-5   
CASUnavailable 

[1]Butera,Roberto;Dömling,Alexander;Gadina,Louis;Holak,TadA.;Kocik-Krol,Justyna;Magiera-Mularz,Katarzyna;Rodriguez,Ismael;Shaabani,Shabnam;Skalniak,Lukasz;Surmiak,Ewa;Wang,Zefeng;Zarganes-Tzitzikas,Tryfon;Zhang,Bidong[Molecules,2022,vol.27,#11]

Literature

Title: Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.

Journal: Journal of medicinal chemistry 20170713

Title: Guzik K, et al. Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J Med Chem. 2017 Jul 13;60(13):5857-5867.

Title: Skalniak L, et al. Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget. 2017 Aug 7;8(42):72167-72181.

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SDS
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