Account PDe12-IN-1
- Catalog No. :
- ACYAWC459
- CAS No. :
- 2259620-80-7
- Molecular Formula :
- C31H27BrFN5O3
- Molecular Weight :
- 616.49
IUPAC Name:3-(5-bromo-6-((2R,3R)-2-(4-fluorophenyl)-3-(hydroxymethyl)morpholine-4-carbonyl)-1-methyl-1H-benzo[d]imidazol-2-yl)-1-ethyl-1H-indole-6-carbonitrile
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Product Information
| Product Name | PDe12-IN-1 |
|---|---|
| IUPAC Name | 3-(5-bromo-6-((2R,3R)-2-(4-fluorophenyl)-3-(hydroxymethyl)morpholine-4-carbonyl)-1-methyl-1H-benzo[d]imidazol-2-yl)-1-ethyl-1H-indole-6-carbonitrile |
| Molecular Formula | C31H27BrFN5O3 |
| Molecular Weight | 616.49 |
| SMILES | N#CC1=CC2=C(C(C3=NC4=CC(Br)=C(C=C4N3C)C(N5[C@@H]([C@H](OCC5)C6=CC=C(C=C6)F)CO)=O)=CN2CC)C=C1 |
| InChI Key | YWMAQKQMUXYMAZ-FQLXRVMXSA-N |
| Synonym | 1H-Indole-6-carbonitrile, 3-[5-bromo-6-[[(2R,3R)-2-(4-fluorophenyl)-3-(hydroxymethyl)-4-morpholinyl]carbonyl]-1-methyl-1H-benzimidazol-2-yl]-1-ethyl-, rel-;PDE12-IN-1 |
| CAS No. | 2259620-80-7 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACYAWC459 Molecular Building Block Synthetic Route
3-(6-(3-(Hydroxymethyl)-2-phenylmorpholine-4-carbonyl)-1-methyl-1H-benzo[d]imidazol-2-yl)-1H-indole-6-carbonitrile
![(2Rp)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/jb6w/1226898-27-6.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T014927Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%221226898-27-6.png%22&x-id=GetObject&X-Amz-Signature=dd9567afa516f448542b97518ff60dd328fc7614bc5256a3e709d606d6880851)
(2Rp)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene
![(R,Sp)-[2-(4'-i-Propyloxazolin-2'-yl)ferrocenyl]diphenylphosphine structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/6e8q/541540-70-9.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T095311Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22541540-70-9.png%22&x-id=GetObject&X-Amz-Signature=30b2dd535769d9ee501d1f47482c09cb012b8fafd1b7b47cb18406eebdb48641)
(R,Sp)-[2-(4'-i-Propyloxazolin-2'-yl)ferrocenyl]diphenylphosphine
![(2Rp)-1-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)ferrocene structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/qu6t/291536-01-1.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T105049Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22291536-01-1.png%22&x-id=GetObject&X-Amz-Signature=035fff5e84dd6479e2b7213eae5c58795b221341a5146622f8819f66938ae7ed)