Tacalcitol

cas: 57333-96-7 — see every product listed under this CAS number, including other names

Tacalcitol (CAS 57333-96-7) is a chemical reagent available from Chemat. Available pack sizes: on request, 1mg, 5mg, 2mg, 10mg, 25mg. Offered by: Chemat Brand, GLPBio, Biosynth.

brandChemat Brand
catalog numberRM-D323370
cas57333-96-7
sizeon request
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Available pack sizes

brand size price
Chemat Brand on request price on request
Chemat Brand on request price on request
GLPBio 1mg 1004.24 Pln
GLPBio 5mg 2225.85 Pln
Biosynth 2mg price on request
Biosynth 1mg price on request
Biosynth 5mg price on request
Biosynth 10mg price on request
Biosynth 25mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Tacalcitol is a hydroxy seco-steroid that is calciol which carries hydroxy groups at positions 1S and 24R. It is a vitamin D3 analog which is used for the treatment of psoriasis vulgaris in adults, especially on the scalp. It has a role as a vitamin D receptor agonist, an antineoplastic agent and an antipsoriatic. It is a secondary alcohol, a seco-cholestane, a hydroxy seco-steroid and a member of D3 vitamins. It is functionally related to a calciol.

Source: ChEBI

Identity
Molecular formulaC27H44O3
Molecular weight416.6 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyBJYLYJCXYAMOFT-RSFVBTMBSA-N
SMILESC[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Computed by PubChem (NCBI)

Synonyms: tacalcitol, Bonalfa, Tacalcitolum, 1-alpha,24(R)-Dihydroxyvitamin D3, (1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol, (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol, 1 alpha,24-dihydroxyvitamin D3, (1alpha,3beta,5Z,7E,24R)-, 1alpha,24-Dihydroxycholecalciferol, Curatoderm, 1alpha,24(R)-Dihydroxyvitamin D3
Related forms of this compound
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
Isomers (same molecular formula)
(1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol C27H44O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
cis-(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
(1S,3R,9R,10R,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol C27H44O3
(4R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,4-diol C27H44O3
cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3

Also listed as

Tacalcitol, ≥98%, ≥98% Chemat CAS 57333-96-7
Tacalcitol (Standard) MedChemExpress CAS 57333-96-7
Tacalcitol, 99.71% MedChemExpress CAS 57333-96-7
Tacalcitol, >=98% Fluorochem CAS 57333-96-7