Prednisone 21-acetate - ≥98% , CAS No.125-10-0

CAS: 125-10-0 Cat. No.: P302294 Peso molecular: 400.46 Número EC: 204-726-0 PubChem CID: 91438

GRADE & PURITY ≥98%

Synonyms

17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate, (17.alpha.)- # | 4-08-00-03532 (Beilstein Handbook Reference) | EN300-23248413 | NSC10965 | NSC-10965 | delta1-Cortisone-21-acetate | Prednisone acetate | U 6167 | J-005194 | MLS001164126 | 4-(4-Pyri

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Prednisone acetate (Prednisone 21-acetate) is a glucocorticoid receptor agonist with immunomodulating properties and anti-inflammatory.

Specifications

Sinónimos

17-Hydroxy-3, 11, 20-trioxopregna-1, 4-dien-21-yl acetate, (17.alpha.)- # | 4-08-00-03532 (Beilstein Handbook Reference) | EN300-23248413 | NSC10965 | NSC-10965 | delta1-Cortisone-21-acetate | Prednisone acetate | U 6167 | J-005194 | MLS001164126 | 4-(4-Pyri

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Glucocorticoid. Increases apoptosis in mature activated blood lymphocytes.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756058
• Sonrisas canónicas: CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O
• IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• InChIKey: MOVRKLZUVNCBIP-RFZYENFJSA-N
• INCHI: 1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
• Isómeros SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O
• PubChem CID: 91438
• Peso molecular: 400.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 3-oxo delta-1,4-steroids 17-hydroxysteroids 11-oxosteroids Delta-1,4-steroids Alpha-acyloxy ketones Tertiary alcohols Alpha-hydroxy ketones Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descripción: 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: acetate ester - 17alpha-hydroxy steroid - steroid ester - 20-oxo steroid - 3-oxo-Delta(1),Delta(4)-steroid - 11-oxo steroid

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

Objetivos asociados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.579
• Punto de inflamación (°C): 200.2ºC
• Punto de ebullición (°C): 582ºC
• Peso molecular: 400.500 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 400.189 Da
• Monoisotopic Mass: 400.189 Da
• Topological Polar Surface Area: 97.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 869.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Referencias

1. Yang Guoqian, Liu Mengmeng, Su Yingfeng, Yu Chi.  (2024)  Preparation and characterization of 3s-PLA/CS/nHA drug-loaded composites by supercritical carbon dioxide technology.  IRANIAN POLYMER JOURNAL,      [PMID:] [10.1007/s13726-024-01373-y]

2. Yufeng Yao, Lijun Shao, Ziqi Li, Jiahao Liang, Chenchen Zhu, Shumei Wang, Chaozhan Lin, Fangle Liu.  (2025)  Xiebai San mediates the NCOA2-ESR1/2 signaling pathway to intervene in interstitial pneumonia.  PHYTOMEDICINE,      [PMID:41380416] [10.1016/j.phymed.2025.157663]