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

CAS: 60133-18-8 Cat. No.: D120133 分子式: C₂₈H₄₄O₃ 分子量: 428.65 Beilstein Registry Number: 5635017 EC番号: 634-659-6 PubChem CID: 9547243

グレード＆純度 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

仕様

同義語

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

仕様と純度

Moligand™, ≥97%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥97%

名前と識別子

パブケム・シド

504764805

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体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ドイツ

3

PubChem CID

9547243

分子量

428.65

Beilstein

5635017

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol;DMSO : ≥ 50 mg/mL (116.65 mM)
• 感度: light sensitive；
• 分子量: 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