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1675203-84-5,MFCD29905455
Catalog No.:AA001XCE

1675203-84-5 | Pd1-pdl1 inhibitor 2

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$14.00   $10.00
- +
5mg
98%
in stock  
$33.00   $23.00
- +
10mg
98%
in stock  
$48.00   $34.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001XCE
Chemical Name:
Pd1-pdl1 inhibitor 2
CAS Number:
1675203-84-5
Molecular Formula:
C25H29N3O3
Molecular Weight:
419.5161
MDL Number:
MFCD29905455
SMILES:
COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C
Properties
Computed Properties
 
Complexity:
526  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
10  
XLogP3:
3.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2015/34820,2015,A1

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2015/34820,2015,A1

76350-90-8   
N-2-2-methoxy-6-(2-methyl-1,1'-biphenyl-3-yl)methoxypyridin-3-ylmethylaminoethylacetamide 

[1]Patent:WO2015/34820,2015,A1

1001-53-2   
2-methoxy-6-(2-methyl-3-phenyl-phenyl)methoxypyridine-3-carbaldehyde 
 
N-2-2-methoxy-6-(2-methyl-1,1'-biphenyl-3-yl)methoxypyridin-3-ylmethylaminoethylacetamide 

[1]JournalofMedicinalChemistry,2019,vol.62,p.7250-7263

[2]Patent:WO2015/34820,2015,A1.Locationinpatent:Page/Pagecolumn71-72

95652-81-6    76350-90-8   
N-2-2-methoxy-6-(2-methyl-1,1'-biphenyl-3-yl)methoxypyridin-3-ylmethylaminoethylacetamide 

[1]JournalofMedicinalChemistry,2019,vol.62,p.7250-7263

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: Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).

Journal: Oncotarget 20160524

Title: Effects of bioisosteric fluorine in synthetic cannabinoid designer drugs JWH-018, AM-2201, UR-144, XLR-11, PB-22, 5F-PB-22, APICA, and STS-135.

Journal: ACS chemical neuroscience 20150819

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