Triamcinolone Hexacetonide - ≥98% , Glucocorticoid receptor agonist, CAS No.5611-51-8, Glucocorticoid receptor agonist

CAS: 5611-51-8 Cat. No.: T346633 Formule: C₃₀H₄₁FO₇ Poids moléculaire: 532.64 Numéro CE: 227-031-4 PubChem CID: 21826

QUALITÉ & PURETÉ ≥98%

Synonyms

Hexacetonido de triancinolona (INN-Spanish) | Q1593246 | TRIAMCINOLONE HEXACETONIDE [USAN] | TRIAMCINOLONE HEXACETONIDE [VANDF] | EINECS 227-031-4 | UNII-I7GT1U99Y9 | 5-19-06-00569 (Beilstein Handbook Reference) | Hexatrione | Pregna-1,4-diene-3,20-dione,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

Hexacetonido de triancinolona (INN-Spanish) | Q1593246 | TRIAMCINOLONE HEXACETONIDE [USAN] | TRIAMCINOLONE HEXACETONIDE [VANDF] | EINECS 227-031-4 | UNII-I7GT1U99Y9 | 5-19-06-00569 (Beilstein Handbook Reference) | Hexatrione | Pregna-1,4-diene-3,20-dione,

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Triamcinolone hexacetonide is a commonly used long-acting steroids in treatment of subacute and chronic inflammatory joint diseases.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Mécanisme d'action

Glucocorticoid receptor agonist

Pureté

≥98%

Propriétés du produit

ALogP

4.8

Noms et identifiants

Sourires canoniques

CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)CC(C)(C)C)C)O)F)C)C

IUPAC Name

[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate

InChIKey

TZIZWYVVGLXXFV-FLRHRWPCSA-N

INCHI

1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1

Isomères SMILES

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CC(C)(C)C)CCC5=CC(=O)C=C[C@@]53C)F)O

PubChem CID

21826

Poids moléculaire

532.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Alpha-acyloxy ketones Ketals 1,3-dioxolanes Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Ketal - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Fluorohydrin - Halohydrin - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organofluoride - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic oxide - Alcohol - Hydrocarbon derivative - Organohalogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• External Descriptors: corticosteroid hormone

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 532.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 532.284 Da
• Monoisotopic Mass: 532.284 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1