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Eldecalcitol - ≥95%, high purity , Vitamin D receptor agonist, CAS No.104121-92-8, Vitamin D receptor agonist

COA

Grade & Purity:

Moligand™

≥95%

Cas Number: 104121-92-8
Molecular Weight: 490.72
PubChem CID: 6918141

In stock

Item Number

E127221

Grouped product items
SKU	Size	Availability	Price	Qty
E127221-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90

View related series

Apoptosis (4276) VD/VDR (83) Vitamin D receptor Agonist (16) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	Eldecalcitol \| DTXSID6062098 \| Eldecalcitol (JAN/INN) \| Monochloromethyl phosphonic dichloride \| (1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-Hydroxypropoxy)-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol \| CT-081 \| 2-(3-Hydroxypropoxy)-1,25-dihydroxyvitamin D3 \| E
Specifications & Purity	Moligand™, ≥95%
Biochemical and Physiological Mechanisms	Eldecalcitol (ED-71; 2.beta.-(3-Hydroxypropoxy)-1.alpha.,25-dihydroxyvitamin D3) is an analog of 1,25-dihydroxyvitamin D3 that improves bone mineral density. Eldecalcitol (ED-71; 2.beta.-(3-Hydroxypropoxy)-1.alpha.,25-dihydroxyvitamin D3)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Vitamin D receptor agonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Vitamin D and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Vitamin D and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Vitamin D and derivatives
Alternative Parents	Triterpenoids Cyclitols and derivatives Tertiary alcohols Secondary alcohols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Triterpenoid - Cyclitol or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors	Vitamin D3 and derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D3 receptor (1 Activities)

Discover Target: VDR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	(1R,2R,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]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
INCHI	InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1
InChIKey	FZEXGDDBXLBRTD-AYIMTCTASA-N
Smiles	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C
Isomeric SMILES	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C
PubChem CID	6918141
Molecular Weight	490.72

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO
Molecular Weight	490.700 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	490.366 Da
Monoisotopic Mass	490.366 Da
Topological Polar Surface Area	90.200 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	784.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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