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

CAS: 105102-22-5 Cat. No.: M333017 Molecular Weight: 427.36 EC Number: 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

Overview

Application

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

Specifications

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

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of Glucocorticoid receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758757
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758757
• Canonical Smiles: 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
• Isomeric 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
• Alternate CAS: 105102-22-5
• PubChem CID: 441335
• MeSH Entry Terms: 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
• Molecular Weight: 427.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• 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: 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

Associated Targets(Human)

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)

Explore this target

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• Melt Point(°C): >211° C (dec.)
• Molecular Weight: 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