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Pd1-pdl1 inhibitor 2

CAS No.:
1675203-84-5
Catalog Number:
AG001XF6
Molecular Formula:
C25H29N3O3
Molecular Weight:
419.5161
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98+%
1 week
United States
$78
- +
5mg
98+%
1 week
United States
$169
- +
10mg
98+%
1 week
United States
$260
- +
25mg
98%
1 week
United States
$607
- +
50mg
98%
1 week
United States
$1023
- +
100mg
98%
1 week
United States
$1640
- +
Product Description
Catalog Number:
AG001XF6
Chemical Name:
Pd1-pdl1 inhibitor 2
CAS Number:
1675203-84-5
Molecular Formula:
C25H29N3O3
Molecular Weight:
419.5161
MDL Number:
MFCD29905455
IUPAC Name:
N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide
InChI:
InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChI Key:
JEDPSOYOYVELLZ-UHFFFAOYSA-N
SMILES:
COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C
Properties
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.221g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
419.525g/mol
Monoisotopic Mass:
419.221g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
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 of medicinal chemistry 20170713
Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). Oncotarget 20160524
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. ACS chemical neuroscience 20150819
Properties