Ercalcitriol - Moligand™,≥97% , CAS No.60133-18-8

CAS: 60133-18-8 Cat. No.: D120133 Fórmula: C₂₈H₄₄O₃ Peso molecular: 428.65 Beilstein Registry Number: 5635017 Número CE: 634-659-6 PubChem CID: 9547243

GRAU & PUREZA Moligand™, ≥97%

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

Especificações

Sinónimos

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

Especificações e pureza

Moligand™, ≥97%

Mecanismos bioquímicos e fisiológicos

Ercalcitriol (1α,25-Dihydroxy Vitamin D2) is a active metabolite of vitamin D2. Ercalcitriol (1α,25-Dihydroxy Vitamin D2) exhibits equipotent antirachitic activity in rats as calcitriol. Ercalcitriol(1α,25-Dihydroxy Vita

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504764805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764805

Sorrisos canónicos

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

SMILES isoméricas

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 Alemanha

3

PubChem CID

9547243

Peso molecular

428.65

Beilstein

5635017

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol;DMSO : ≥ 50 mg/mL (116.65 mM)
• Sensibilidade: light sensitive；
• Peso molecular: 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