α-Estradiol - Moligand™, ≥98% , CAS No.57-91-0

CAS: 57-91-0 Cat. No.: E194035 Peso molecular: 272.39 Número EC: 200-354-8
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
CCRIS 7203 | Estra-1,3,5(10)-triene-3,17alpha-diol | NCGC00161666-02 | Alfatradiol;Epiestradiol;Epiestrol | LMST02010029 | Oestra-1,3,5(10)-triene-3,17alpha-diol | 17.alpha.-Estradiol | 17alpha-E2 | Alfatradiol | alpha-Estradiol, powder, >=98% (TLC) | Oes
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
E194035-100mg
2
92,90US$
250mg
E194035-250mg
2

82,90US$

97,90US$
Guardar 15,00 US$ (15.32%)
1g
E194035-1g
3

193,90US$

241,90US$
Guardar 48,00 US$ (19.84%)
5g
E194035-5g
3

548,90US$

756,90US$
Guardar 208,00 US$ (27.48%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

Specifications

Sinónimos
CCRIS 7203 | Estra-1, 3, 5(10)-triene-3, 17alpha-diol | NCGC00161666-02 | Alfatradiol;Epiestradiol;Epiestrol | LMST02010029 | Oestra-1, 3, 5(10)-triene-3, 17alpha-diol | 17.alpha.-Estradiol | 17alpha-E2 | Alfatradiol | alpha-Estradiol, powder, >=98% (TLC) | Oes
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
Endogenous estrogen receptor ligand (Kivalues are 0.2 and 1.2 nM for ERαand ERβreceptors respectively).β-Estradiolalso available.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504754299
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754299
Sonrisas canónicasCC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
IUPAC Name(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChIKeyVOXZDWNPVJITMN-SFFUCWETSA-N
INCHI1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
Isómeros SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O
WGK Alemania 3
RTECS KG3750000
CAS alternativo 57-91-0
Número NSC 20293
Términos de entrada MeSH alfatradiol
Peso molecular 272.39
Reaxy-Rn 2055276
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055276&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClaseSteroids and steroid derivatives
SubclassEstrane steroids
Intermediate Tree Nodes Not available
Direct ParentEstrogens and derivatives
Alternative Parents 3-hydroxysteroids  17-hydroxysteroids  Phenanthrenes and derivatives  Tetralins  1-hydroxy-2-unsubstituted benzenoids  Secondary alcohols  Cyclic alcohols and derivatives  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Estrogen-skeleton - 17-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
DescripciónThis 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 C18 steroids (estrogens) and derivatives
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ESR1 Tclin Estrogen receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR2 Tclin Estrogen receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B7 Tchem 3-keto-steroid reductase (330 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPER1 Tchem G-protein coupled estrogen receptor 1 (111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

9 results found

Lot NumberCertificate TypeFechaArticulo
E2515010Certificate of AnalysisMay 21, 2025 E194035
H2212411Certificate of AnalysisMay 12, 2025 E194035
H2212412Certificate of AnalysisMay 12, 2025 E194035
H2212447Certificate of AnalysisMay 12, 2025 E194035
J2524466Certificate of AnalysisJun 28, 2024 E194035
J2524467Certificate of AnalysisJun 28, 2024 E194035
J2424320Certificate of AnalysisJul 23, 2022 E194035
K2301081Certificate of AnalysisJul 23, 2022 E194035
B2217105Certificate of AnalysisFeb 21, 2022 E194035
Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 27.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 27.24, Max Conc. mM: 100
Rotación específica [α]+46.0 to +52.0 deg(C=1, Dioxane)
Punto de fusión (°C)222.0 - 226.0 °C
Peso molecular272.400 g/mol
XLogP34.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.178 Da
Monoisotopic Mass272.178 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity382.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Xian Liu, Like Chen, Yang Yang, Liping Xu, Junyong Sun, Tian Gan.  (2022)  MXene−reinforced octahedral PtCu nanocages with boosted electrocatalytic performance towards endocrine disrupting pollutants sensing.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36137886] [10.1016/j.jhazmat.2022.130000]
2. Yanqun Yang, Yipeng Huang, Zhuqiang Wu, Rui Shi, Zhengyi Chen, Guihua Ruan.  (2022)  Porous capillary monolithic column coupled with ultrahigh performance liquid chromatography-tandem mass spectrometry for fast and effective separation and determination of estrogens.  ANALYTICA CHIMICA ACTA,      [PMID:36089309] [10.1016/j.aca.2022.340270]
3. Xianze Wang, Zhongmou Liu, Zhian Ying, Mingxin Huo, Wu Yang.  (2018)  Adsorption of Trace Estrogens in Ultrapure and Wastewater Treatment Plant Effluent by Magnetic Graphene Oxide.  International Journal of Environmental Research and Public Health,  15  (7): (1454).  [PMID:29996530] [10.3390/ijerph15071454]
4. Hailong Peng, Mei Luo, Hua Xiong, Ningxiang Yu, Fangjian Ning, Jieping Fan, Zheling Zeng, Jinhua Li, Lingxin Chen.  (2016)  Preparation of photonic-magnetic responsive molecularly imprinted microspheres and their application to fast and selective extraction of 17β-estradiol.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27000739] [10.1016/j.chroma.2016.03.003]
5. Fangjian Ning, Hailong Peng, Jinhua Li, Lingxin Chen, Hua Xiong.  (2014)  Molecularly Imprinted Polymer on Magnetic Graphene Oxide for Fast and Selective Extraction of 17β-Estradiol.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:25017481] [10.1021/jf501845w]
6. Cheng Yang, Yanmei Shi, Lixin Li, Zhihong Chen, Di Zhao, Weixia Zhu, Kai Hu.  (2024)  Facile preparation of novel magnetic metal-organic frameworks/Ti3C2Tx composite for efficiently removal of bisphenol A from water samples.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2024.05.054]
7. Yingchao Liu, Jiahui Bai, Xiaoxia Dong, Yuqi Cao, Mingmai Bao, Yingjie Lu, Hui Zeng, Lixing Zhan, Yinlong Guo.  (2024)  Online Charge-Generation Derivatization by Electrochemical Radical Cations of Thianthrene: Mass Spectrometry Imaging of Estrogens in Biological Tissues.  ANALYTICAL CHEMISTRY,      [PMID:39031066] [10.1021/acs.analchem.4c02086]
8. Zhang Qianchun, Wang Yutong, Yang Bingnian, Bao Linchun, Wu Yun, Wang Xingyi.  (2022)  Development of an Efficient Solid-Phase Microextraction Monolithic Column for the Analysis of Estrogens in Human Urine and Serum Samples.  CHROMATOGRAPHIA,  85  (8): (733-741).  [PMID:] [10.1007/s10337-022-04178-4]
9. Wang Bing, Yuan Huanxiang, Zhu Chunlei, Yang Qiong, Lv Fengting, Liu Libing, Wang Shu.  (2012)  Polymer-drug conjugates for intracellar molecule-targeted photoinduced inactivation of protein and growth inhibition of cancer cells.  Scientific Reports,  (1): (1-8).  [PMID:23097688] [10.1038/srep00766]
10. Xiaoxiao Wang, Huachun Liu, Zhian Sun, Shanwen Zhao, Yanqiang Zhou, Jianmin Li, Tianpei Cai, Bolin Gong.  (2020)  Monodisperse restricted access material with molecularly imprinted surface for selective solid-phase extraction of 17β-estradiol from milk.  JOURNAL OF SEPARATION SCIENCE,  43  (17): (3520-3533).  [PMID:32579267] [10.1002/jssc.202000449]
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