(S)-Tert-Butyl 2-(4-(4-Chlorophenyl)-2,3,9-Trimethyl-6H-Thieno[3,2-f][1,2,4]Triazolo[4,3-a][1,4]Diazepin-6-yl)Acetate (S)-(+)-2-(4-(4-氯苯基)-2,3,9-三甲基-6H-噻吩并[3,2-F][1,2,4]三唑并[4,3-A][1,4]二氮杂卓-6-基)乙酸叔丁酯
CAS 1268524-70-4 MFCD368524704
化学结构图
SMILES: Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
化学属性
| Mol. Weight | 457 |
|---|---|
| Density | 1.33 |
| Mol. Formula | C23H25ClN4O2S |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | (+)-JQ1; (+)-JQ-1; (+)-JQ 1; Bromodomain Inhibitor (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate |
|---|---|
| CAS Number | 1268524-70-4 |
| Chemical Name | (S)-Tert-Butyl 2-(4-(4-Chlorophenyl)-2,3,9-Trimethyl-6H-Thieno[3,2-f][1,2,4]Triazolo[4,3-a][1,4]Diazepin-6-yl)Acetate |
| Chemical Name Translation | (S)-(+)-2-(4-(4-氯苯基)-2,3,9-三甲基-6H-噻吩并[3,2-F][1,2,4]三唑并[4,3-A][1,4]二氮杂卓-6-基)乙酸叔丁酯 |
| Formula | C23H25ClN4O2S |
| IUPAC Name | tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate |
| InChIKey | DNVXATUJJDPFDM-KRWDZBQOSA-N |
| InChI | InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 |
| Canonical SMILES | O=C(OC(C)(C)C)C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 |
| MDL Number |
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产品应用
- (+)-JQ1 is a BET potent BET bromodomain Inhibitor. Bromodomain and extra terminal domain (BET) proteins are important epigenetic regulators facilitating the transcription of genes in chromatin areas linked to acetylated histones. JQ1 has antiproliferative activity against many cancers, mainly through inhibition of c-MYC and upregulation of p21. JQ1 suppresses tumor growth through downregulating LDHA in ovarian cancer. JQ1 suppresses growth of pancreatic ductal adenocarcinoma in patient-derived xenograft models. JQ1 disrupts human dendritic cell maturation by inhibiting STAT5.
