1α,25-Dihydroxyvitamin D2 - Moligand™,50 μg/mL in ethanol , CAS No.60133-18-8

CAS: 60133-18-8 Cat. No.: D433056 Molecular Weight: 428.65 Beilstein Registry Number: 5635017 EC Number: 634-659-6 PubChem CID: 9547243

GRADE & PURITY Moligand™, 50 μg/mL in ethanol

Synonyms

AKOS024457904 | 1,25-Dihydroxyvitamin D2 | 1alpha,25-Dihydroxycalciferol | NCGC00245115-01 | ZGLHBRQAEXKACO-XJRQOBMKSA-N | 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,25-triol,(1a,3b,5Z,7E,22E)- | 1.alpha.,25-dihydroxyvitamin d2 | Ro 17-6218 | 1,25-Dihydr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

1α,25-Dihydroxyvitamin D 2 is an active form of vitamin D 2 . It is also known as ercalcitriol or 1α,25-dihydroxyergocalciferol. It was first isolated from mitochondria of chick kidney.

Application

This product may be used as an analytical standard.

Specifications

Synonyms

AKOS024457904 | 1, 25-Dihydroxyvitamin D2 | 1alpha, 25-Dihydroxycalciferol | NCGC00245115-01 | ZGLHBRQAEXKACO-XJRQOBMKSA-N | 9, 10-Secoergosta-5, 7, 10(19), 22-tetraene-1, 3, 25-triol, (1a, 3b, 5Z, 7E, 22E)- | 1.alpha., 25-dihydroxyvitamin d2 | Ro 17-6218 | 1, 25-Dihydr

Specifications & Purity

Moligand™, 50 μg/mL in ethanol

Biochemical and Physiological Mechanisms

Ercalcitriol (1α, 25-Dihydroxy Vitamin D2) is a vitamin D receptor (VDR) agonist with high binding affinity. After binding to VDR, Ercalcitriol forms a complex with retinoid X receptor (RXR) to regulate target gene transcription. For example, Ercalcitriol

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Names and Identifiers

• Canonical Smiles: CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
• IUPAC Name: (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
• InChIKey: ZGLHBRQAEXKACO-XJRQOBMKSA-N
• INCHI: 1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
• WGK Germany: 3
• PubChem CID: 9547243
• Molecular Weight: 428.65
• Beilstein: 5635017

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 Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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 D2 and derivatives

Data sources

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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 428.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 428.329 Da
• Monoisotopic Mass: 428.329 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 758.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1