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INCB086550 - 98%, high purity , CAS No.2230911-59-6
Basic Description
Synonyms | HY-134884 | AKOS040755509 | GTPL11528 | 2378608-10-5 | INCB 086550 [WHO-DD] | SCHEMBL20294327 | EX-A5004 | T8B91S15VF | BDBM395411 | CS-0160196 | (R)-1-((7-Cyano-2-(3'-((3-(((R)-3-hydroxypyrrolidin-1-yl)methyl)-1,7-naphthyridin-8-yl)amino)-2,2'-dimethyl-[ |
Specifications & Purity | ≥98% |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | INCB086550 (PD-1/PD-L1-IN-8; example 24) is a PD-1/PD-L1 inhibitor, with an IC 50 <= 10 nM. Form:Solid |
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Names and Identifiers
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 |
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 |
InChi Key | QARLNMDDSQMINK-BVRKHOPBSA-N |
Canonical SMILES | CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CCC(C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCC(C8)O)C |
Isomeric 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 |
Alternate CAS | 2230911-59-6 |
PubChem CID | 135146787 |
Molecular Weight | 693.79 |
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Chemical and Physical Properties
Solubility | H2O : 83.33 mg/mL (120.11 mM; ultrasonic and adjust pH to 3 with HCl) |
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