Account NICE-01
- Catalog No. :
- ACCAEP334
- CAS No. :
- 2982819-94-1
- Molecular Formula :
- C63H76ClN7O13S
- Molecular Weight :
- 1206.86
IUPAC Name:(R)-1-(3-((14-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-2,13-dioxo-6,9-dioxa-3,12-diazatetradecyl)oxy)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate
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Product Information
| Product Name | NICE-01 |
|---|---|
| IUPAC Name | (R)-1-(3-((14-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-2,13-dioxo-6,9-dioxa-3,12-diazatetradecyl)oxy)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate |
| Molecular Formula | C63H76ClN7O13S |
| Molecular Weight | 1206.86 |
| SMILES | O=C([C@H]1N(C([C@H](C2=CC(OC)=C(OC)C(OC)=C2)CC)=O)CCCC1)O[C@@H](C3=CC=CC(OCC(NCCOCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=C3)CCC8=CC=C(OC)C(OC)=C8 |
| InChI Key | USCBOLCYUGPYAF-YUZLDYPQSA-N |
| Synonym | NICE-01;NICE-01/AP1867/PEG2/JQ1/AP-PEG2/JQ1);2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, (1R)-1-[3-[[14-[(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]-2,13-dioxo-6,9-dioxa-3,12-diazatetradec-1-yl]oxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)- |
| CAS No. | 2982819-94-1 |
Synthetic Route by SureRoute
2. ACCAEP334 Molecular Building Block Synthetic Route
2-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(5-(2-(4-(2,6-dioxopiperidin-3-yl)phenoxy)acetamido)pentyl)acetamide
(S)-2-((1-(2-Chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl)oxy)-N-(2-(2-(2-(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)acetamido)ethoxy)ethoxy)ethyl)acetamide
![2-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethoxy)ethoxy)phenyl)acetamide structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/puod/1818885-28-7.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T210220Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%221818885-28-7.png%22&x-id=GetObject&X-Amz-Signature=ab3dfe235fea6490ec9384458906ad33580f0ad58c174f5430b4c157670a590a)
2-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethoxy)ethoxy)phenyl)acetamide