AT-1

AT-1 is a proteolysis-targeting chimera (PROTAC) that contains the bromodomain and extra terminal (BET) domain-containing protein inhibitor (+)-JQ1 (Cay-11187) conjugated to PROTAC building block VH ligand 032 (Cay-39982). It selectively degrades bromodomain-containing protein 4 (BRD4) over BRD3 and BRD2 in HeLa cells at 300 nM.Formal Name: (4R)-N-acetyl-3-[[6-[[2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl]amino]hexyl]thio]-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-L-prolinamide. CAS Number: 2098836-45-2. Molecular Formula: C48H58ClN9O5S3. Formula Weight: 972.7. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Chloroform: Sparingly Soluble: 1-10 mg/ml, Methanol: Slightly Soluble: 0.1-1 mg/ml. SMILES: CC1=C(C)SC2=C1C(C3=CC=C(C=C3)Cl)=N[C@@H](CC(NCCCCCCSC(C)(C)[C@H](NC(C)=O)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)C7=NN=C(C)N27. InChi Code: InChI=1S/C48H58ClN9O5S3/c1-27-29(3)66-47-40(27)41(33-16-18-35(49)19-17-33)54-37(44-56-55-30(4)58(44)47)23-39(61)50-20-10-8-9-11-21-65-48(6,7)43(53-31(5)59)46(63)57-25-36(60)22-38(57)45(62)51-24-32-12-14-34(15-13-32)42-28(2)52-26-64-42/h12-19,26,36-38,43,60H,8-11,20-25H2,1-7H3,(H,50,61)(H,51,62)(H,53,59)/t36-,37+,38+,43-/m1/s1. InChi Key: SQNZDYHMCMIGGV-TZPPCSJFSA-N.