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Hydrocortisone 17-Butyrate 21-Propionate , Glucocorticoid receptor agonist, CAS No.72590-77-3, Glucocorticoid receptor agonist

COA

Cas Number: 72590-77-3
Molecular Weight: 488.61
PubChem CID: 636398

In stock

Item Number

H352278

Grouped product items
SKU	Size	Availability	Price	Qty
H352278-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90
H352278-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$475.90

Basic Description

Synonyms	Pregn-4-ene-3,20-dione, 11-hydroxy-17-(1-oxobutoxy)-21-(1-oxopropyl)-, (11beta)- \| CHEBI:31675 \| 17-Butyryloxy-11-beta-hydroxy-21-propionyloxy-4-pregnene-3,20-dione \| HYDROCORTISONE BUTEPRATE (MART.) \| DTXSID3048603 \| LMST02030128 \| EINECS 276-726-9 \| 11b
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	AGONIST
Mechanism of action	Glucocorticoid receptor agonist

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	Steroid esters 20-oxosteroids 3-oxo delta-4-steroids 11-beta-hydroxysteroids Delta-4-steroids Cyclohexenones Alpha-acyloxy ketones Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Progestogin-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - 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	C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
INCHI	InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1
InChIKey	FOGXJPFPZOHSQS-AYVLZSQQSA-N
Smiles	CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COC(=O)CC
Isomeric SMILES	CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC
PubChem CID	636398
Molecular Weight	488.61

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	>65° C (dec.)
Molecular Weight	488.600 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	488.277 Da
Monoisotopic Mass	488.277 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	938.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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

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