Account (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
- Catalog No. :
- ACHDAI941
- CAS No. :
- 219989-84-1
- Molecular Formula :
- C27H42N2O5S
- Molecular Weight :
- 506.71
IUPAC Name:(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
![(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione structure diagram](/images/productimg/no-pic.svg)
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50mg98%$932.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione |
|---|---|
| IUPAC Name | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione |
| Molecular Formula | C27H42N2O5S |
| Molecular Weight | 506.71 |
| SMILES | O=C(C[C@H](O)C1(C)C)N[C@H](/C(C)=C/C2=CSC(C)=N2)C[C@]3([H])O[C@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C1=O |
| InChI Key | FABUFPQFXZVHFB-PVYNADRNSA-N |
| Synonym | IXABEPILONE;(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E) -1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14. 1.0]heptadecane-8,12-dione;Aza-epothilone B;Bms 247550-1;Ixempra;Unii-K27005np0a;Azi-epothilone B;BMS 247550 |
| CAS No. | 219989-84-1 |
| PubChem CID | 6445540 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H317-H334
- Precautionary Statement(s)
- P261-P272-P280-P285-P302+P352-P304+P341-P333+P313-P342+P311-P363-P501
Synthetic Route by SureRoute
2. ACHDAI941 Molecular Building Block Synthetic Route
![(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/3k19/152044-54-7.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260802%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260802T144814Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22152044-54-7.png%22&x-id=GetObject&X-Amz-Signature=7d2fce2f109cdd39d102de1aeef644bf139962ec472d0d31bc016908d49e1275)
(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione