PD-1/PD-L1-IN 5

CAT: 0931-T62193-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T62193-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2170209-51-3

Target

Others, PD-1/PD-L1

Related Pathways

Immunology/Inflammation, Cell Cycle/Checkpoint, Others, Apoptosis

Bioactivity

PD-1/PD-L1-IN 5 is a potent inhibitor of the PD-1/PD-L1 protein/protein interaction (IC50 ≤ 100 nM) .

Smiles

C(#N)C1=C(C=CC=C1NC(=O)C2=NC3=C(S2)CNCC3)C=4C=C5C(=CC4)OCCO5

Molecular Formula

C22H18N4O3S

Molecular Weight

418.47

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PD-1/PD-L1-IN 5

CAS Number	2170209-51-3
PubChem CID	132229919
IUPAC Name	N-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Molecular Formula	C22H18N4O3S
Molecular Weight	418.5
XLogP	3.2
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	685

SMILES

C1CNCC2=C1N=C(S2)C(=O)NC3=CC=CC(=C3C#N)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H18N4O3S/c23-11-15-14(13-4-5-18-19(10-13)29-9-8-28-18)2-1-3-16(15)25-21(27)22-26-17-6-7-24-12-20(17)30-22/h1-5,10,24H,6-9,12H2,(H,25,27)

InChIKey

CJCNMXQYXKRQRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2170209-51-3

CID: 132229919

Formula: C22H18N4O3S

MW: 418.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	418.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	418.10996162
Monoisotopic Mass	418.10996162
Topological Polar Surface Area	125 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	685
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-160585	PD-L1/PD-1-IN-1
HY-144649	PD-1/PD-L1-IN-24
HY-168078	PD-1/PD-L1-IN-50
HY-144447	PD-1/PD-L1-IN-17
HY-169190	PD-1/PD-L1-IN-53
HY-132202-01	PD-1/PD-L1-IN-10
HY-144442	PD-1/PD-L1-IN-15
HY-129172A	PD-1/PD-L1-IN 5
HY-145770	PD-1/PD-L1-IN-19
HY-179180	PD-1/PD-L1-IN-59

PD-1/PD-L1-IN 5

Chemical Information

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