Mometasone - Moligand™, ≥98% , Agonist of Glucocorticoid receptor, CAS No.105102-22-5, Agonist of Glucocorticoid receptor

CAS: 105102-22-5 Cat. No.: M333017 Formula: C₂₂H₂₈Cl₂O₄ Peso molecolare: 427.36 Numero EC: 818-819-4 PubChem CID: 441335

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one|Mometasone [INN:BAN]|Mometasone; Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-; Mometasone Furoate Impurity G; Mometasone Furoate Impurity G|Mometasone Furoate Impurity G|LAS41002|LAS-41002|Mometasone|Mometasonum [Latin]|9,21-dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione|9,21-DICHLORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE|MOMETASONE [INN]|Mometasone, nasal|Mometasone, topical|9,21-Dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (Mometasone)|Mometasone (INN)|(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one|9a,21-Dichloro-11b,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione|(11beta,16alpha)-9,21-Dichloro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione|JEX|MOMETASONE FUROATE IMPURITY G [EP IMPURITY]|Mometasonum (Latin)|Mometasona|PREGNA-1,4-DIENE-3,20-DIONE, 9,21-DICHLORO-11,17-DIHYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)-|Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-|MOMETASONE [WHO-DD]|(+)-Mometasone|mometazone|Mometasone, inhaled|Mometasonum|MOMETASONE [VANDF]

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Application

Mometasone   is a potent topical corticosteroid. Mometasone has potent antiinflammatory activity and is used in the treatment of dermatological disorders.

Specifiche

Sinonimi

(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | Mometasone [INN:BAN] | Mometasone; Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-; Mometasone Furoate Impurity G; Mometasone Furoate Impuri Mostra altro

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Agonist of Glucocorticoid receptor

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504758757

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758757

Sorrisi canonici

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)Cl)C

IUPAC Name

(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

InChIKey

QLIIKPVHVRXHRI-CXSFZGCWSA-N

INCHI

1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Isomeri SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C

CAS alternativo

105102-22-5

PubChem CID

441335

Termini MeSH

Asmanex;Asmanex Twisthaler;Elocon;Furoate Monohydrate, Mometasone;Furoate, Mometasone;mometasone;mometasone furoate;mometasone furoate monohydrate;Monohydrate, Mometasone Furoate;Nasonex;Rinelon;Sch 32088;Sch-32088;Sch32088;Twisthaler, Asmanex

Peso molecolare

427.36

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 17-hydroxysteroids Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Tertiary alcohols Alpha-hydroxy ketones Alpha-chloroketones Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Chlorohydrins Alkyl chlorides Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - Hydroxysteroid - Halo-steroid - 9-halo-steroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 17-hydroxysteroid - Delta-1,4-steroid - Alpha-haloketone - Cyclic alcohol - Alpha-hydroxy ketone - Tertiary alcohol - Alpha-chloroketone - Chlorohydrin - Cyclic ketone - Secondary alcohol - Halohydrin - Ketone - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Aliphatic homopolycyclic compound
• Descrizione: 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: 11beta-hydroxy steroid - 17alpha-hydroxy steroid - 20-oxo steroid - 3-oxo-Delta(1),Delta(4)-steroid - chlorinated 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

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NR3C1 Tclin Glucocorticoid receptor (0 Activities)

Discover Target: NR3C1

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ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• Punto di fusione (°C): >211° C (dec.)
• Peso molecolare: 427.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 426.136 Da
• Monoisotopic Mass: 426.136 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 806.000
• 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