Diflorasone

CAT: 0804-HY-A0158-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-A0158-04Size:25 mg

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Description

Diflorasone act as a corticosteroid hormone receptor agonist with anti-inflammatory and immunosuppressive properties. Diflorasone enters the cell by diffusion across the cell membrane and binds to the glucocorticoid receptor (GR) in the cytoplasm. Diflorasone is used for the research of skin diseases such as eczema or psoriasis[1].

CAS Number

2557-49-5

UNSPSC

12352211

Hazard Statement

H315, H319, H320

Target

Glucocorticoid Receptor

Type

Reference compound

Related Pathways

Immunology/Inflammation; Vitamin D Related/Nuclear Receptor

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

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

Purity

99.86

Solubility

DMSO : 130 mg/mL (ultrasonic)

Smiles

C[C@@]12[C@](C(CO)=O)(O)[C@@H](C)C[C@@]1([H])[C@]3([H])C[C@H](F)C4=CC(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C2)=O

Molecular Formula

C22H28F2O5

Molecular Weight

410.45

Precautions

H315, H319, H320

References & Citations

[1]Wickrema Sinha AJ, et al. Percutaneous absorption and excretion of tritium-labeled diflorasone diacetate, a new topical corticosteroid in the rat, monkey and man. J Invest Dermatol. 1978 Dec;71 (6) :372-7.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Diflorasone

Diflorasone is the 16beta-analogue of flumethasone. It is used as the 17,21-diacetate as a topical anti-inflammatory and antipruritic in the treatment of various skin disorders. It has a role as an anti-inflammatory drug. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a fluorinated steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of a pregnane.

CAS Number	2557-49-5
PubChem CID	71415
IUPAC Name	(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Formula	C22H28F2O5
Molecular Weight	410.5
XLogP	1.9
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	839

SMILES

C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F

InChI

InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1

InChIKey

WXURHACBFYSXBI-XHIJKXOTSA-N

Chemical Structure

2D Structure

CAS: 2557-49-5

CID: 71415

Formula: C22H28F2O5

MW: 410.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	410.5
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	410.19048031
Monoisotopic Mass	410.19048031
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	839
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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T21192-01	Diflorasone Diacetate
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A17606-25	Diflorasone 25mg

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