1-α,25-Dihydroxyvitamin D2

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Names

[ Name ]:
1-α,25-Dihydroxyvitamin D2

[Synonym ]:
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
1α,25-dihydroxyergocalciferol
1alpha,25-dihydroxyvitamin D2
1α,25-Dihydroxy Vitamin D2
(1S,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3,25-triol
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
1α,25-Dihydroxycalciferol
Ercalcitriol

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
577.7±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C₂₈H₄₄O₃

[ Molecular Weight ]:
428.647

[ Flash Point ]:
242.5±24.7 °C

[ Exact Mass ]:
428.329041

[ PSA ]:
60.69000

[ LogP ]:
6.15

[ Vapour Pressure ]:
0.0±3.6 mmHg at 25°C

[ Index of Refraction ]:
1.554

[ Storage condition ]:
−20°C

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H319

[ Precautionary Statements ]:
P210-P280-P305 + P351 + P338-P337 + P313-P403 + P235

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
R23/24/25;R63

[ Safety Phrases ]:
36/37-45

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Benzoic acid 7a-methyl-1-(1-methyl-2-oxo-ethyl)-octahydro-inden-4-yl ester
Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester
7a-Methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol
(1R,3aR,7aR)-1-((2R,5S,E)-6-(MethoxyMethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one
(22R)-des-A,B-8β-(benzoyloxy)-25-[(methoxymethyl)oxy]cholest-23-yn-22-ol

DownStream

Articles

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

5-lipoxygenase is a direct target of miR-19a-3p and miR-125b-5p.

J. Immunol. 194(4) , 1646-53, (2015)

5-Lipoxygenase (5-LO) is the key enzyme in leukotriene biosynthesis. Leukotrienes are mediators of the innate immune system and inflammatory processes, and they might also be involved in cancer develo...

1,25-dihydroxyergocalciferol
1,25-dihydroxyvitamin D
1,25-dihydroxyvitamin D3-23,26-lactol
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
24-homo-1,25-dihydroxyvitamin D3
(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,5-difluoro-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
ethyl 6-methyl-2-{[(1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
N'-(6-methoxybenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
1-(1-(4-Benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-3-phenethylthiourea
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
(Z)-N-((1,2-dimethyl-1H-indol-5-yl)methyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
1,1-Diethyl-3-(1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl)urea
N'-(4-methylbenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbohydrazide
1-(1-(4-Methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-3-phenethylthiourea
4-bromo-N-[3-(9-fluorenylideneamino)oxy-2-hydroxypropyl]-N-methylbenzenesulfonamide
N1-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-(furan-2-yl)ethyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide

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