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50-14-6 ((S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol)

1

Identification

Smiles C[[email protected]](/C=C/[[email protected]](C)C(C)C)[[email protected]@H]1[[email protected]](CCC/2)(C)[[email protected]](CC1)([H])C2=CC=C(C[[email protected]]3O)/C(CC3)=C
Synonyms Calciferol; Ergocalciferol; Oleovitamin D2; 9,10-Secoergosta-5,7,10,22-tetraen-3-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
InChI InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
2

Introduction

Odorless white crystals. Used as a dietary supplement and food additive.

Background Information

Vitamin D2 has been found to be effective as an antirachitic agent. ......by BOC Sciences
Vitamin D2 (Ergocalciferol) is a form of vitamin D, used as a vitamin D supplement. Target: Ergocalciferol is a secosteroid formed by a photochemical bond breaking of a steroid, specifically, by the action of ultraviolet light on ergosterol. ......by MedChemexpress Co., Ltd.
Vitamin D2 is a selective inhibitor of mammalian DNA polymerase A (pol A) with IC50 of 123 mM. ......by Selleck Chemicals LLC
Vitamin D2 has a strong inhibitory effect against bladder tumor promotion by sodium saccharin and induces cell differentiation in leukemia cells. Vitamin D2 is an inhibitor of DNA Polymerase. ......by Target Molecule Corp.
3

Protocol(Only for Reference)

Cell Experiment

Animal Experiment

4

Physical and Chemical Properties

Appearance:White to off-white Solid EBNumber:EB000028149

Storage condition

4°C by MedChemexpress Co., Ltd.

Solubility

10 mM in DMSO by MedChemexpress Co., Ltd.
(25°C) * In vitro DMSO 20 mg/mL (50.42 mM); Ethanol80 mg/mL (201.68 mM); Water<1 mg/mL (<1 mM) by Selleck Chemicals LLC
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Mechanism and Indication

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Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol Albany College of Pharmacy and Health Sciences Vitamin D Deficiency Renal Failure Chronic Requiring Hemodialysis 2011/3/9 2016/1/1 Phase 3 Clinical
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol Winthrop University Hospital Pruritis 2010/4/29 2013/2/1 Phase 3 Clinical
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol New York Presbyterian Hospital Nephrolithiasis Urolithiasis Idiopathic Hypercalciuria Vitamin D Deficiency Disorder of Vitamin D 2011/2/14 2012/9/1 Phase 3 Clinical
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol Dialysis Clinic, Inc. End Stage Renal Disease 2011/7/14 2016/2/15 Phase 3 Clinical
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol Salem Veterans Affairs Medical Center Secondary Hyperparathyroidism Chronic Kidney Disease 2009/8/11 2009/8/1 Phase 3 Clinical
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol - Launched
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Safety Data of (S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol

Hazard Symbols : T+
Risk Statements : R24/25;R26;R48/25
Safety Statements : S28A;S36/37;S45
Transport Information : UN 2811
RTECS : KE1050000
WGKGermany : 3
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Spectral Information

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Suppliers List

10

Related Products

Other Forms of 50-14-6

Name CAS No Formula MW

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
Impurity D of Calcitriol 103656-40-2 C28H46O3 430.66
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 112875-61-3 C39H68O3Si2 641.13
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
Calcipotriol (monohydrate) 147657-22-5 C27H42O4 430.62
Vitamin D4 511-28-4 C27H44O 384.64
(1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol 73837-24-8 C27H44O3 416.64
(1R,3S,E)-5-((E)-2-((1R,3aR,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol 113082-99-8 C27H40O3 412.6
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

Recommended Compounds in Same Indication

Name CAS No Formula MW
Bardoxolone 218600-44-3 C31H41NO4 491.66
Bardoxolone (methyl) 218600-53-4 C32H43NO4 505.69
Cinacalcet (hydrochloride) 364782-34-3 C22H23ClF3N 393.87
Aleglitazar 475479-34-6 C24H23NO5S 437.51
Cinacalcet 226256-56-0 C22H22F3N 357.41
Calcitriol 32222-06-3 C27H44O3 416.64
Calcifediol (monohydrate) 63283-36-3 C27H44O2 400.64
Calcifediol 19356-17-3 C27H44O2 400.64
Curcumin 458-37-7 C21H20O6 368.38
Boceprevir 394730-60-0 C27H45N5O5 519.68
Paricalcitol 131918-61-1 C27H44O3 416.64
Heparin 9005-49-6 C26H42N2O37S5 1134.93
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Route of Synthesis

12

References

Protocol Reference

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More Information

(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol

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