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INCB086550

CAT: 1410-M34893-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34893-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
INCB086550 (PD-1/PD-L1-IN-8) (example 24) is a PD-1/PD-L1 inhibitor, with an IC50 <= 10 nM.
CAS Number
2230911-59-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
693.79
Molecular Formula
C41H39N7O4
Notes
Research use only, not for human use.
Receptor
PD-1/PD-L1

Chemical Information

Incb-086550

INCB-086550 is under investigation in clinical trial NCT04629339 (Study of INCB086550 in Select Solid Tumors).

CAS Number2230911-59-6
PubChem CID135146787
IUPAC Name(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
Molecular FormulaC41H39N7O4
Molecular Weight693.8
XLogP3.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count52
Formal Charge0
Complexity1280
SMILES
CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CC[C@H](C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CC[C@H](C8)O)C
InChI
InChI=1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1
InChIKey
QARLNMDDSQMINK-BVRKHOPBSA-N
Chemical Structure
2D Structure
2D structure of Incb-086550
CAS: 2230911-59-6
CID: 135146787
Formula: C41H39N7O4
MW: 693.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight693.8
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass693.30635275
Monoisotopic Mass693.30635275
Topological Polar Surface Area152 Ų
Heavy Atom Count52
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C14509-25mgINCB086550

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