PAC - CAS 2158322-33-7

PAC - CAS 2158322-33-7

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PAC is a PROTAC with an ADC linker, intended to be conjugated to an antibody. PAC conjugated to an antibody is a more marked estrogen receptor-alpha (ERĪ±) degrader compared to PROTAC (without Ab).

General Information

Category
ADCs Cytotoxin with Linkers
Product Name
PAC
CAS
2158322-33-7
Molecular Formula
C94H107N13O16
Molecular Weight
1674.93
Canonical SMILES
CCC(=C(C1=CC=C(C=C1)OCCN(C)C(=O)COCCOCCNC(=O)C2=CC=C(C=C2)C(=O)N3C(C(C(=O)N(C4=C3C=C(C=C4)C#N)CC5=C(C=CC6=CC=CC=C65)OC)NC(=O)C(C)NC)C)C7=CC=C(C=C7)OCC8=CC=C(C=C8)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN9C(=O)C=CC9=O)C1=CC=CC=C1
InChI Key
AAGUYPGVVXJDLD-UHFFFAOYSA-N
InChI
InChI=1S/C94H107N13O16/c1-9-74(65-19-12-10-13-20-65)85(68-34-41-73(42-35-68)123-58-63-25-37-71(38-26-63)100-90(114)77(23-18-47-99-94(96)118)101-91(115)86(60(2)3)102-81(108)24-14-11-17-49-105-82(109)45-46-83(105)110)67-32-39-72(40-33-67)122-52-50-104(7)84(111)59-121-54-53-120-51-48-98-89(113)69-28-30-70(31-29-69)92(116)107-62(5)87(103-88(112)61(4)97-6)93(117)106(78-43-27-64(56-95)55-79(78)107)57-76-75-22-16-15-21-66(75)36-44-80(76)119-8/h10,12-13,15-16,19-22,25-46,55,60-62,77,86-87,97H,9,11,14,17-18,23-24,47-54,57-59H2,1-8H3,(H,98,113)(H,100,114)(H,101,115)(H,102,108)(H,103,112)(H3,96,99,118)

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