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Estetrol - 97%, high purity , Estrogen receptor agonist, CAS No.15183-37-6, Estrogen receptor agonist

1 Citations

COA

Grade & Purity:

Moligand™

≥97%

Cas Number: 15183-37-6
Molecular Weight: 304.38
PubChem CID: 27125
PubChem SID: 504753350

In stock

Item Number

E336724

Grouped product items
SKU	Size	Availability	Price
E336724-1mg	1mg	3	$157.90
E336724-5mg	5mg	3	$711.90
E336724-10mg	10mg	3	$1,279.90
E336724-25mg	25mg	3	$2,879.90
E336724-50mg	50mg	2	$5,183.90

a metabolite of Estradiol

View related series

Estrogen Receptor/ERR (213) Metabolite (5307) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol \| Drovelis (EMA); ; estetrol monohydrate + drospirenone \| ESTETROL [WHO-DD] \| (14beta,15alpha,16alpha,17alpha)-Estra-1,3,5(10)-Triene-3,15,16,17-Tetrol \| GTPL11591 \| WHO 10439 \| AT27982 \| CHEBI:14277
Specifications & Purity	Moligand™, ≥97%
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.
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Estrogen receptor agonist
Product Description	A metabolite of Estradiol that is an estrogenic steroid synthesized exclusively by the fetal liver during human pregnancy and reaches the maternal circulation through the placenta.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Estrane steroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Estrane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Estrogens and derivatives
Alternative Parents	3-hydroxysteroids 17-hydroxysteroids 16-alpha-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic alcohols and derivatives Polyols Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Estrogen-skeleton - 3-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Secondary alcohol - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors	Not available
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

Product Properties

ALogP	1.5

Associated Targets(Human)

ESR1 Tclin Estrogen receptor (2 Activities)

Discover Target: ESR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR2 Tclin Estrogen receptor beta (2 Activities)

Discover Target: ESR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

Associated Targets(non-human)

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

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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	504753350
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753350
IUPAC Name	(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
INCHI	InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
InChIKey	AJIPIJNNOJSSQC-NYLIRDPKSA-N
Smiles	CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H]([C@H]([C@@H]2O)O)O)CCC4=C3C=CC(=C4)O
Molecular Weight	304.38
Reaxy-Rn	38332589
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38332589&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
C2505010	Certificate of Analysis	Dec 08, 2022	E336724
L2214663	Certificate of Analysis	Dec 08, 2022	E336724
L2214965	Certificate of Analysis	Dec 08, 2022	E336724
L2215308	Certificate of Analysis	Dec 08, 2022	E336724
L2215307	Certificate of Analysis	Dec 08, 2022	E336724
L2215312	Certificate of Analysis	Dec 08, 2022	E336724

Chemical and Physical Properties

Solubility	Soluble in methanol, and acetone.
Refractive Index	n20D1.65 (Predicted)
Boil Point(°C)	491.94° C at 760 mmHg (Predicted)
Melt Point(°C)	233-236° C
Molecular Weight	304.400 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	304.167 Da
Monoisotopic Mass	304.167 Da
Topological Polar Surface Area	80.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	441.000
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

Citations of This Product

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