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

CAS: 105102-22-5 Cat. No.: M333017 分子式: C₂₂H₂₈Cl₂O₄ 分子量: 427.36 EC番号: 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

概要

Application

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

Specifications

同義語

(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

仕様と純度

Moligand™, ≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of Glucocorticoid receptor

純度

≥98%

名前と識別子

• パブケム・シド: 504758757
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504758757
• カノニカル・スマイル: 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
• 異性体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
• 代替CAS番号: 105102-22-5
• PubChem CID: 441335
• MeSH用語: 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
• 分子量: 427.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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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関連ターゲット（非人間）

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• 融点（°C）: >211° C (dec.)
• 分子量: 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