PD-1/PD-L1 Inhibitor is a macrocyclic inhibitor of PD-1/PD-L1 interaction with an IC50 of 5.6 nM. In vitro ab231310 is capable of inhibiting the interaction of PD-L1 with PD-1 and with CD80. It has highly efficacious binding to PD-L1 and promotes enhanced T cell functional activity.
CAT No: R1891
CAS No: 1629654-95-0
Synonyms/Alias: PD-1/PD-L1 Inhibitor 3;1629654-95-0;EQC65495;(3S,6S,12S,15S,18S,21S,24S,27S,30R,39S,42S,47aS)-3-((1H-imidazol-5-yl)methyl)-12,18-bis((1H-indol-3-yl)methyl)-N,42-bis(2-amino-2-oxoethyl)-36-benzyl-21,24-dibutyl-27-(3-guanidinopropyl)-15-(hydroxymethyl)-6-isobutyl-8,20,23,38,39-pentamethyl-1,4,7,1;
Chemical Name: (3S,6S,12S,15S,18S,21S,24S,27S,30R,39S,42S,47aS)-3-((1H-imidazol-5-yl)methyl)-12,18-bis((1H-indol-3-yl)methyl)-N,42-bis(2-amino-2-oxoethyl)-36-benzyl-21,24-dibutyl-27-(3-guanidinopropyl)-15-(hydroxymethyl)-6-isobutyl-8,20,23,38,39-pentamethyl-1,4,7,10,13,
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M.F/Formula | C89H126N24O18S |
M.W/Mr. | 1852.2 |
Sequence | One Letter Code:FANPHLGWSWXXRXG Three Letter Code:Ac(1)-DL-Phe-DL-N(Me)Ala-DL-Asn-DL-Pro-DL-His-DL-Leu-Sar-DL-Trp-DL-Ser-DL-Trp-DL-N(Me)Nle-DL-N(Me)Nle-DL-Arg-DL-Cys(1)-Gly-NH2 |
Purity | ≥97% by HPLC |
Source# | Synthetic |
Long-term Storage Conditions | Soluble in DMSO |
Shipping Condition | RT, or blue ice upon request. |
InChI | InChI=1S/C89H126N24O18S/c1-10-12-30-69-82(125)102-60(29-21-33-95-89(92)93)78(121)108-68(77(120)98-44-73(91)116)47-132-48-75(118)101-64(36-52-23-15-14-16-24-52)85(128)110(7)51(5)76(119)104-66(40-72(90)115)87(130)113-34-22-32-70(113)83(126)103-62(39-55-43-94-49-99-55)80(123)105-63(35-50(3)4)84(127)109(6)45-74(117)100-61(37-53-41-96-58-27-19-17-25-56(53)58)79(122)107-67(46-114)81(124)106-65(38-54-42-97-59-28-20-18-26-57(54)59)86(129)112(9)71(31-13-11-2)88(131)111(69)8/h14-20,23-28,41-43,49-51,60-71,96-97,114H,10-13,21-22,29-40,44-48H2,1-9H3,(H2,90,115)(H2,91,116)(H,94,99)(H,98,120)(H,100,117)(H,101,118)(H,102,125)(H,103,126)(H,104,119)(H,105,123)(H,106,124)(H,107,122)(H,108,121)(H4,92,93,95) |
InChI Key | XAUDCIZFSQEZFS-UHFFFAOYSA-N |
Canonical SMILES | CCCCC1C(=O)NC(C(=O)NC(CSCC(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1C)CCCC)C)CC3=CNC4=CC=CC=C43)CO)CC5=CNC6=CC=CC=C65)C)CC(C)C)CC7=CN=CN7)CC(=O)N)C)C)CC8=CC=CC=C8)C(=O)NCC(=O)N)CCCNC(=N)N |
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