Ciclesonide

CAT: 0804-HY-B0625-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0625-02Size:10 mg

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Description

Ciclesonide (RPR251526) is a glucocorticoid with an potent anti-inflammatory activity. Ciclesonide can be used for asthma research[1].

CAS Number

126544-47-6

Product Name Alternative

RPR251526

UNSPSC

12352005

Hazard Statement

H361, H373

Target

Glucocorticoid Receptor

Type

Reference compound

Related Pathways

Immunology/Inflammation; Vitamin D Related/Nuclear Receptor

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology; Endocrinology

Assay Protocol

https://www.medchemexpress.com/Ciclesonide.html

Purity

99.93

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

O=C([C@]([C@@]1([H])C[C@@]2([H])[C@@](CCC3=CC4=O)([H])[C@]([C@]3(C=C4)C)([H])[C@@H](O)C5)(O[C@H](C6CCCCC6)O1)[C@]25C)COC(C(C)C)=O

Molecular Formula

C32H44O7

Molecular Weight

540.69

Precautions

H361, H373

References & Citations

[1]Mutch, E., et al., The role of esterases in the metabolism of ciclesonide to desisobutyryl-ciclesonide in human tissue. Biochem Pharmacol, 2007. 73 (10) : p. 1657-64.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Ciclesonide

Ciclesonide is an organic molecular entity.

CAS Number	126544-47-6
PubChem CID	6918155
IUPAC Name	[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate
Molecular Formula	C32H44O7
Molecular Weight	540.7
XLogP	5.3
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	1100

SMILES

CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6

InChI

InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1

InChIKey

LUKZNWIVRBCLON-GXOBDPJESA-N

Chemical Structure

2D Structure

CAS: 126544-47-6

CID: 6918155

Formula: C32H44O7

MW: 540.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	540.7
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	540.30870374
Monoisotopic Mass	540.30870374
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1100
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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B3477-10	Ciclesonide

Ciclesonide

Chemical Information

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