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147657-22-5 (Calcipotriol (monohydrate))

1

Identification

Calcipotriol (monohydrate) Calcipotriol (monohydrate)
Name Calcipotriol (monohydrate)
Formula C27H42O4
MW 430.62
CAS No. 147657-22-5
EINECS
Smiles C[[email protected]]12CCC/C([[email protected]@]([H])1CC[[email protected]@H]2[[email protected]@H](/C=C/[[email protected]@H](O)C3CC3)C)=CC=C4C[[email protected]@H](O)C[[email protected]](O)C4=C.O
Synonyms (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol hydrate; (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate
InChI InChI=1S/C27H40O3.H2O/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2;/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1
2

Introduction

Calcipotriol, a 1,25-Dihydroxyvitamin D3 analogue, is used as topical treatment for psoriasis. IC50 value: Target: Vitamin D3 analogue in vitro: Calcipotriol increased hCAP18 mRNA expression in IL-17/IL-22-stimulated keratinocytes.

Background Information

VDR-like Receptors ......by Affix Scientific
Calcipotriol increased hCAP18 mRNA expression in IL-17/IL-22-stimulated keratinocytes. However, LL37 peptide in the culture supernatants was reduced by calcipotriol. Calcipotriol and FTY720 augment IL-2-activated NK cell lysis of K562 and RAJI tumor cell ......by BOC Sciences
Calcipotriol monohydrate is a synthetic VitD3 analogue with a high affinity for the vitamin D receptor. ......by MedChemexpress Co., Ltd.
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Protocol(Only for Reference)

Cell Experiment

Animal Experiment

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Physical and Chemical Properties

Appearance:White to off-white Solid EBNumber:EB000019228

Storage condition

Up to one week at 4°C or six months at -20°C. by Affix Scientific

Solubility

DMSO by Affix Scientific
DMSO by MedChemexpress Co., Ltd.
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Mechanism and Indication

Signaling Pathways Others
Target VD/VDR
Research Area Inflammation/Immunology
Indications
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Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Calcipotriol (monohydrate) - Launched
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Safety Data of Calcipotriol (monohydrate)

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Spectral Information

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Suppliers List

Company Price and Availability Country/Region
Affix Scientific 100mg/USD750(In stock) USA
Apexbio Technology LLC 10mg/USD153() USA
BOC Sciences
Biochempartner Co., Ltd China
CHEMSCENE, LLC 5mg/USD108();10mg/USD144() USA
MedChemexpress Co., Ltd. 5mg/USD108();10mg/USD144() USA
Santa Cruz Biotechnology, Inc. USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD108();10mg/USD144() China
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Related Products

Other Forms of 147657-22-5

Name CAS No Formula MW
Calcipotriol 112965-21-6 C27H40O3 412.6
Rogaratinib 1443530-05-9 C23H26N6O3S 466.5559
BAY1125976 1402608-02-9 C23H21N5O 383.4457
BAY-876 1799753-84-6 C24H16F4N6O2 496.42
AZD0156 1821428-35-6 C26H31N5O3 461.556
Mivebresib 1445993-26-9 C22H19F2N3O4S 459.4658
KDM5A-IN-1 1905481-36-8 C15H22N4O2 290.36
CBR-5884 681159-27-3 C14H12N2O4S2 336.39
SR-3029 1454585-06-8 C23H19F3N8O 480.45
Sulfathiourea 515-49-1 C7H9N3O2S2 231.3
(1S,2S)-2-PCCA 1609624-97-6 C30H37N3O 455.63
(1R,2R)-2-PCCA 1287205-42-8 C30H37N3O 455.63

Recommended Compounds in VD/VDR

Name CAS No Formula MW
25,26-Dihydroxyvitamin D3 29261-12-9 C27H44O3 416.64
(24R)-MC 976 112828-09-8 C27H42O3 414.62
(24S)-24,25-Dihydroxyvitamin D3 55700-58-8 C27H44O3 416.64
Calcitriol Impurities D 103656-40-2 C28H46O3 430.663
Calcifediol (monohydrate) 63283-36-3 C27H44O2 400.64
Cholecalciferol 67-97-0 C27H44O 384.64
(24S)-MC 976 112849-14-6 C27H42O3 414.62
(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 C39H68O3Si2 641.1264
VD3-D6 118584-54-6 C27H38D6O 390.67
VD2-D3 1217448-46-8 C28H41D3O 399.67
25-Hydroxy VD2-D6 1262843-46-8 C28H38D6O2 418.68
1alpha, 25-Dihydroxy VD2-D6 216244-04-1 C28H38D6O3 434.68
Cholecalciferol 67-97-0 C27H44O 384.63766
Calcitriol Impurities A 73837-24-8 C27H44O3 416.6365
(1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol 910133-70-9 C27H40O3 412.6047
Paricalcitol 131918-61-1 C27H44O3 416.64
MC 976 129831-99-8 C27H42O3 414.62
24R-Calcipotriol 112827-99-3 C27H40O3 412.6
MC 1046 126860-83-1 C27H38O3 410.59
3-O-(2-Aminoethyl)-25-hydroxyvitamin D3 163018-26-6 C30H51NO2 457.73

Recommended Compounds in Same Indication

Name CAS No Formula MW
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Route of Synthesis

12

References

13

More Information

Calcipotriol (monohydrate)

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