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

CAS: 105102-22-5 Cat. No.: M333017 Peso molecular: 427.36 Número EC: 818-819-4 PubChem CID: 441335

GRADE & PURITY 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

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Application

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

Specifications

Sinónimos

(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

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of Glucocorticoid receptor

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758757
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758757
• Sonrisas canónicas: 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
• Isómeros 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
• Términos de entrada 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 molecular: 427.36

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 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
• 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: 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (0 Activities)

Discover Target: NR3C1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Homo sapiens (32628 Activities)

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

Liver (3974 Activities)

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• Punto de fusión (°C): >211° C (dec.)
• Peso molecular: 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