Clobetasol - ≥98% , CAS No.25122-41-2

CAS: 25122-41-2 Cat. No.: C336493 분자식: C₂₂H₂₈ClFO₄ 분자량: 410.91 EC 번호: 246-633-8

등급 & 순도 ≥98%

Synonyms

EINECS 246-633-8 | ADN79D536H | Clobetasolum [INN-Latin] | HSDB 7994 | CHEBI:205919 | Clobetasolum | Dovate | 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione | Clobecort Amex | UNII-ADN79D536H | DTXSID2048955

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Chlorhexidine is a corticosteroid with potent anti-inflammatory and immunosuppressive effects. It regulates gene expression by binding to glucocorticoid receptors, thereby inhibiting pro-inflammatory cytokines and suppressing inflammatory mediators. This will ultimately alleviate the inflammatory response. It can inhibit the proliferation of various immune cells, such as T cells and mast cells that play a role in the inflammatory process.

사양

동의어

EINECS 246-633-8 | ADN79D536H | Clobetasolum [INN-Latin] | HSDB 7994 | CHEBI:205919 | Clobetasolum | Dovate | 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione | Clobecort Amex | UNII-ADN79D536H | DTXSID2048955

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

pKa

pKa: 12.03 (Predicted)

이름과 식별자

Pubchem Sid

528772617

정식 스마일

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

IUPAC Name

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

InChIKey

FCSHDIVRCWTZOX-DVTGEIKXSA-N

INCHI

1S/C22H28ClFO4/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-/m0/s1

이성체 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)F)C

WGK 독일

3

분자량

410.91

Reaxy-Rn

6748271

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6748271&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Tertiary alcohols Alpha-hydroxy ketones Alpha-chloroketones Secondary alcohols Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Alkyl fluorides Alkyl chlorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• 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 - Cyclic ketone - Secondary alcohol - Fluorohydrin - Halohydrin - Ketone - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Alkyl chloride - Aliphatic homopolycyclic compound
• 설명: 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 - glucocorticoid - 20-oxo steroid - fluorinated 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

관련 대상(인간)

PBMC (10003 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

관련 대상(비인간)

Mus musculus (284745 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: n20D1.58 (Predicted)
• 끓는점(°C): ~555.1° C at 760 mmHg (Predicted)
• 녹는점(°C): 195.5-197° C
• 분자량: 410.900 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 410.166 Da
• Monoisotopic Mass: 410.166 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 808.000
• 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