(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

Catalog No. :: ACZJBL142
CAS No. :: 83602-39-5
Molecular Formula :: C62H111N11O12
Molecular Weight :: 1202.64

IUPAC Name:(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone structure diagram

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Product Information

Product Name	(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
IUPAC Name	(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
MDL No.	MFCD04039488
Molecular Formula	C62H111N11O12
Molecular Weight	1202.64
SMILES	O=C([C@@H](C(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@@H](C)NC([C@H](C)NC([C@H](CC(C)C)N(C)C([C@H](C(C)C)NC([C@H](CC(C)C)N(C)C(CN(C)C([C@H](CC)N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/C)C1=O
InChI Key	PMATZTZNYRCHOR-JLPRAAIDSA-N
Synonym	Q27278214 \| 5-(N-Methyl-D-valine)cyclosporin A \| 5-(N-Methyl-D-valine)cyclosporine A \| FUO6O3NDNH \| [D-MeVal]11-CsA \| Csh cyclosporin \| EX-A2225 \| SANDOZ-37-839 \| NCGC00386167-01 \| PMATZTZNYRCHOR-JLPRAAIDSA-N \| (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-et
CAS No.	83602-39-5
PubChem CID	6476564

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H302-H350-H360
Precautionary Statement(s): P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501

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(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

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1. ACZJBL142 Molecular Building Block Synthetic Route

2. ACZJBL142 Molecular Building Block Synthetic Route

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(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

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Synthetic Route by SureRoute

(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-((1R,2R)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-15,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

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