Account S-((2R,3S,4S,6S)-6-((((2R,3S,4S,5R,6R)-5-(((2S,4S,5S)-5-(N-Ethylacetamido)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((2S,5Z,9R,13E)-9-hydroxy-12-((methoxycarbonyl)amino)-13-(2-(methyltrisulfaneyl)ethylidene)-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate
- Catalog No. :
- ACQZPS394
- CAS No. :
- 108212-76-6
- Molecular Formula :
- C57H76IN3O22S4
- Molecular Weight :
- 1410.41
IUPAC Name:S-((2R,3S,4S,6S)-6-((((2R,3S,4S,5R,6R)-5-(((2S,4S,5S)-5-(N-ethylacetamido)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((2S,5Z,9R,13E)-9-hydroxy-12-((methoxycarbonyl)amino)-13-(2-(methyltrisulfaneyl)ethylidene)-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate
![S-((2R,3S,4S,6S)-6-((((2R,3S,4S,5R,6R)-5-(((2S,4S,5S)-5-(N-Ethylacetamido)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((2S,5Z,9R,13E)-9-hydroxy-12-((methoxycarbonyl)amino)-13-(2-(methyltrisulfaneyl)ethylidene)-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | S-((2R,3S,4S,6S)-6-((((2R,3S,4S,5R,6R)-5-(((2S,4S,5S)-5-(N-Ethylacetamido)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((2S,5Z,9R,13E)-9-hydroxy-12-((methoxycarbonyl)amino)-13-(2-(methyltrisulfaneyl)ethylidene)-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate |
|---|---|
| IUPAC Name | S-((2R,3S,4S,6S)-6-((((2R,3S,4S,5R,6R)-5-(((2S,4S,5S)-5-(N-ethylacetamido)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((2S,5Z,9R,13E)-9-hydroxy-12-((methoxycarbonyl)amino)-13-(2-(methyltrisulfaneyl)ethylidene)-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate |
| Molecular Formula | C57H76IN3O22S4 |
| Molecular Weight | 1410.41 |
| SMILES | O[C@](CC1=O)(C#C/C=C\C#C2)/C(C([C@H]2O[C@@](O[C@H](C)[C@@H](NO[C@H](O[C@H](C)[C@H]3SC(C(C(C)=C(I)C(O[C@H](O[C@@H](C)[C@H](O)[C@H]4OC)[C@@H]4O)=C5OC)=C5OC)=O)C[C@@H]3O)[C@@H]6O)([H])[C@@H]6O[C@@](OC[C@@H]7N(CC)C(C)=O)([H])C[C@@H]7OC)=C1NC(OC)=O)=C/CSSSC |
| InChI Key | WPDOZYZAJKUVRZ-IOCYQWGVSA-N |
| Synonym | N-Acetyl-Calicheamicin;N-acetylcalicheamicin γ1;N-acetyl-calicheamidn y1;N-Acetyl-Calicheamicin g1;Carbamic acid, [(1R,4Z,8S,13E)-8-[[2-O-[4-(acetylethylamino)-2,4-dideoxy-3-O-methyl-α-L-threo-pentopyranosyl]-4,6-dideoxy-4-[[[2,6-dideoxy-4-S-[4-[(6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-3-iodo-5,6-dimethoxy-2-methylbenzoyl]-4-thio-β-D-ribo-hexopyranosyl]oxy]amino]-β-D-glucopyranosyl]oxy]-1-hydr...;N-Acetyl-Calicheamicin γ|||N-Acetyl-γ-calicheamicin;N-Acetyl-Calicheamicin (N-Acetyl-Calicheamicin γ) |
| CAS No. | 108212-76-6 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H317-H334-H341-H351-H413
- Precautionary Statement(s)
- P201-P202-P261-P264-P270-P272-P273-P280-P284-P301+P310+P330-P302+P352-P304+P340-P308+P313-P333+P313-P342+P311-P362+P364-P405-P501
Synthetic Route by SureRoute
2. ACQZPS394 Molecular Building Block Synthetic Route
S-((2R,3S,4S,6S)-6-((((2R,3S,4S,5R,6R)-5-(((2S,4S,5S)-5-(ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((2S,5Z,9R,13E)-9-hydroxy-12-((methoxycarbonyl)amino)-13-(2-(methyltrisulfaneyl)ethylidene)-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate
Calicheamicin-AcBut-NHS ester
![(R)-N,N-Dimethyl-1-[(Rp)-1′,2-bis(diphenylphosphino)ferrocenyl]ethylamine structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/roob/74311-56-1.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T083757Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%2274311-56-1.png%22&x-id=GetObject&X-Amz-Signature=cbd6f4d6e53ae069f64ffb17dc96c984fd955688b31742da2a7a61e6dfe820cc)
(R)-N,N-Dimethyl-1-[(Rp)-1′,2-bis(diphenylphosphino)ferrocenyl]ethylamine
![1-Dicyclohexylphosphino-1'-{(S)-{(SP)-2-[(R)-1-(dimethylamino)ethyl]Ferrocenyl}phenylphosphino}Ferrocene structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/xz17/952586-19-5.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T083757Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22952586-19-5.png%22&x-id=GetObject&X-Amz-Signature=758791313b7cdc9e77db4691abe50d4c6856b48b712474e474a4535294ef6a3a)