Meprednisone - ≥99% , Glucocorticoid receptor agonist, CAS No.1247-42-3, Glucocorticoid receptor agonist

CAS: 1247-42-3 Cat. No.: M129199 분자식: C₂₂H₂₈O₅ 분자량: 372.455 EC 번호: 214-996-1

GRADE & PURITY ≥99%

Synonyms

(16beta)-17,21-dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione | MEPREDNISONE [MART.] | Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16.beta.)- | Betapar (Meprednisone) | DTXSID8023260 | Meprednisone [USAN:USP:INN] | SR-01000945264-1 |

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Meprednisone is a glucocorticoid and a methylated derivative of prednisone.

Specifications

동의어

(16beta)-17,21-dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione | MEPREDNISONE [MART.] | Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16.beta.)- | Betapar (Meprednisone) | DTXSID8023260 | Meprednisone [USAN:USP:INN] | SR-01000945264-1 |

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Meprednisone is a glucocorticoid.

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

AGONIST

작동 메커니즘

Glucocorticoid receptor agonist

순수함

≥99%

제품 특성

• ALogP: 1.9

이름과 식별자

• Pubchem Sid: 488195293
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195293
• 정식 스마일: CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C
• IUPAC Name: (8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
• InChIKey: PIDANAQULIKBQS-RNUIGHNZSA-N
• INCHI: 1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1
• 이성체 SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C
• 분자량: 372.455
• Reaxy-Rn: 3481452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3481452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Hydroxysteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-oxo delta-1,4-steroids 17-hydroxysteroids 11-oxosteroids Delta-1,4-steroids Tertiary alcohols Alpha-hydroxy ketones Cyclic ketones Cyclic alcohols and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 21-hydroxysteroid - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - 11-oxosteroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
• External Descriptors: Not available

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

관련 대상(인간)

MES-SA (905 Activities)

Explore this target

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Chloroform and Methanol
• 녹는점(°C): 204-206°C
• 분자량: 372.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.194 Da
• Monoisotopic Mass: 372.194 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 795.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

참고 문헌

1. Jianbo Li, Ertai Ye, Jingwen Huang, Meng Xu, Jieke Zhang, Junrong Zhang, Huijie Cai, Jinjie Zhang.  (2024)  Cysteine-modified PEGylated nanoparticles for targeted delivery of methylprednisolone to pancreatitis.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:38199584] [10.1016/j.ejpb.2024.114179]