INECALCITOL structure, CAS 163217-09-2

INECALCITOL

CAS Number163217-09-2

Synonyms(1R,3R,7E,14β,17β)-17-[(2R)-6-Hydroxy-6-methyl-4-heptyn-2-yl]-9,10-secoestra-5,7-diene-1,3-diol; UNII:05FZV98342; 19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3; TX 522; Inecalcitol; (7E)-(1R,3R,14R)-19-nor-23-yne-9,10-seco-5,7-cholestadiene-1,3,25-triol; MFCD09838524

Molecular FormulaC26H40O3

Molecular Weight400.6

Purity98.00%

Density1.2±0.1 g/cm3

Boiling Point568.6±50.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Cat. No.: 2A-1180141 Purity: 98.00%
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Quality Control of [ 163217-09-2 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number163217-09-2
Catalog No.2A-1180141
Chinese Name依奈骨化醇
Synonyms(1R,3R,7E,14β,17β)-17-[(2R)-6-Hydroxy-6-methyl-4-heptyn-2-yl]-9,10-secoestra-5,7-diene-1,3-diol; UNII:05FZV98342; 19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3; TX 522; Inecalcitol; (7E)-(1R,3R,14R)-19-nor-23-yne-9,10-seco-5,7-cholestadiene-1,3,25-triol; MFCD09838524
Molecular FormulaC26H40O3
Molecular Weight400.6
Purity98.00
Density1.2±0.1 g/cm3
Boiling Point568.6±50.0 °C at 760 mmHg
ApplicationInaccalciferol (TX 522), a unique vitamin D3 analogue, is an orally active vitamin D receptor (VDR) agonist with a Kd of 0.53 nM. Calcitonol can induce cell apoptosis and has strong anti-cancer activi
PubChem ID14903658
MDL NumberMFCD09838524
SMILESCC(CC#CC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3)CCCC21C
InChIInChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1
InChI KeyHHGRMHMXKPQNGF-WNSNRMDMSA-N
Transport InfoProduct Name: Inescalcidol
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