Tachysterol 3 - ≥98% , CAS No.17592-07-3

CAS: 17592-07-3 Cat. No.: T647563 Peso molecular: 384.64 Número EC: 241-561-3 PubChem CID: 5283713

GRADE & PURITY ≥98%

Synonyms

AKOS040757010 | (1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol | tachysterol3 | CHEBI:166835 | EINECS 241-561-3 | 9,10-SECOCHOLESTA-5(10),6,8-TRIEN-3-OL, (3.BETA.,6E)

Storage

Protected from light,Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Tachysterol 3 is a photoproduct of Previtamin D 3

In Vitro

Tachysterol 3 can be hydroxylated by CYP11A1 and CYP27A1. Tachysterol 3 is detected in human serum at a concentration of 7.3 ± 2.5 ng/mL. Tachysterol 3 hydroxyderivatives show high-affinity binding to the ligan-binding domain (LBD) of the liver X receptor (LXR) α and β, and the peroxisome proliferator-activated receptor γ (PPARγ) in LanthaScreen TR-FRET coactivator assays. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Oil

IC50& Target:Human Endogenous Metabolite

Specifications

Sinónimos

AKOS040757010 | (1S)-3-[(E)-2-[(1R, 3aR, 7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1, 2, 3, 3a, 6, 7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol | tachysterol3 | CHEBI:166835 | EINECS 241-561-3 | 9, 10-SECOCHOLESTA-5(10), 6, 8-TRIEN-3-OL, (3.BETA., 6E)

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Tachysterol 3 is a photoproduct of Previtamin D 3 ( HY-130705 ).

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(CC(CC1)O)C=CC2=CCCC3(C2CCC3C(C)CCCC(C)C)C
• IUPAC Name: (1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
• InChIKey: YUGCAAVRZWBXEQ-FMCTZRJNSA-N
• INCHI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,26+,27-/m1/s1
• Isómeros SMILES: CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C
• CAS alternativo: 17592-07-3
• PubChem CID: 5283713
• Términos de entrada MeSH: (3beta,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol;(3S,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol;(3S,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol;1,25-dihydroxy-3-epi-19-nor-previtamin D3;14-epi-19-nortachysterol;precalciferol;precholecalciferol;previtamin
• Peso molecular: 384.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Vitamin D and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin D and derivatives
• Alternative Parents: Triterpenoids Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descripción: 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

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

Propiedades químicas y físicas

• Solubilidad: DMSO : 130 mg/mL (337.98 mM; Need ultrasonic)
• Peso molecular: 384.600 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 384.339 Da
• Monoisotopic Mass: 384.339 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1