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CAS 170081-43-3
2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal
Codes: CALCIP-003, CALCIP-021
Application context (from source-drug indications)
Plaque psoriasisBetamethasone Dipropionate/CalcipotriolPsoriasisBetamethasone Dipropionate/CalcipotriolPhotoallergic dermatitisBetamethasone Dipropionate/CalcipotriolPhototoxic dermatitisBetamethasone Dipropionate/CalcipotriolPsoriasisCalcipotriolPlaque psoriasisCalcipotriol口腔白斑病CalcipotriolAlopeciaCalcipotriolLocalised sclerodermaCalcipotriolAcne vulgarisCalcipotriol
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Betamethasone Dipropionate/Calcipotriol | Tier C — Watch / trade | - |
| Calcipotriol | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol→(6S)-1-((E)-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)methyl)-6-hydroxy-1,3,4,5,6,7-hexahydrobenzo[c]thiophene 2,2-dioxide→2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→tert-butyl(((S,E)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)dimethylsilane→(1S,5R,E)-5-((tert-butyldimethylsilyl)oxy)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-2-methylenecyclohexanol→(((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)→(4S,6R)-4,6-bis((tert-butyldimethylsilyl)oxy)-1-((E)-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)methyl)octahydrobenzo[c]thiophene 2,2-dioxide→(2S)-2-((1R,3aS,7aR,E)-4-(((4S,6R)-4,6-bis((tert-butyldimethylsilyl)oxy)-2,2-dioxidooctahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→2-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propanal→1-cyclopropyl-2-(triphenylphosphoranylidene)ethanone→(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol→1-cyclopropylethanone→2-bromo-1-cyclopropylethanone→CALCIP-016
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol→(6S)-1-((E)-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)methyl)-6-hydroxy-1,3,4,5,6,7-hexahydrobenzo[c]thiophene 2,2-dioxide→2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→2-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propanal→CALCIP-023→CALCIP-024→CALCIP-025→1-cyclopropyl-2-(triphenylphosphoranylidene)ethanone→CALCIP-026→CALCIP-027→(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol→(6S)-1-((E)-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)methyl)-6-hydroxy-1,3,4,5,6,7-hexahydrobenzo[c]thiophene 2,2-dioxide→2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→tert-butyl(((S,E)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)dimethylsilane→(1S,5R,E)-5-((tert-butyldimethylsilyl)oxy)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-2-methylenecyclohexanol→(((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)→(4S,6R)-4,6-bis((tert-butyldimethylsilyl)oxy)-1-((E)-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)methyl)octahydrobenzo[c]thiophene 2,2-dioxide→(2S)-2-((1R,3aS,7aR,E)-4-(((4S,6R)-4,6-bis((tert-butyldimethylsilyl)oxy)-2,2-dioxidooctahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→2-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propanal→1-cyclopropyl-2-(triphenylphosphoranylidene)ethanone→(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol→1-cyclopropylethanone→2-bromo-1-cyclopropylethanone→CALCIP-016
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol→(6S)-1-((E)-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)methyl)-6-hydroxy-1,3,4,5,6,7-hexahydrobenzo[c]thiophene 2,2-dioxide→2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→2-((1R,3aS,7aR,E)-4-(((6S)-6-((tert-butyldimethylsilyl)oxy)-2,2-dioxido-1,3,4,5,6,7-hexahydrobenzo[c]thiophen-1-yl)methylene)-7a-methyloctahydro-1H-inden-1-yl)propanal→2-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propanal→CALCIP-023→CALCIP-024→CALCIP-025→1-cyclopropyl-2-(triphenylphosphoranylidene)ethanone→CALCIP-026→CALCIP-027→(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol→(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
Intermediates available on this site
Side-by-side comparison of all listed offers on this CAS; price bands are list-price ranges, final price subject to RFQ confirmation.
| Supplier | Product | Price band | MOQ | Lead time | Qualifications |
|---|---|---|---|---|---|
| Unibest Nantong cGMP Site | (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one Pharmaceutical Intermediates | On request | On request | On request | — |
| Unibest Taizhou GMP-like Site | Bis-TBDMS-trans-calcipotriol Pharmaceutical Intermediates | On request | On request | On request | — |
| Qualified Partner — East China API Works | (5E)-Calcipotriene Pharmaceutical Intermediates | On request | On request | On request | — |
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