Estrone 3-O-Sulfamate is a potent inhibitor of ES (estrone sulfatase). Estrone 3-O-Sulfamate inhibits estrone sulfatase >99% at 0.1μM in intact MCF-7 cells, IC|50|=65pM.

Specifications

Sinónimos

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N
IUPAC Name	[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
InChIKey	RVKFQAJIXCZXQY-CBZIJGRNSA-N
INCHI	1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
Isómeros SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N
Peso molecular	349.44
Reaxy-Rn	22131527
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22131527&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Steroids and steroid derivatives
Subclass	Estrane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Estrane steroids
Alternative Parents	17-oxosteroids Phenanthrenes and derivatives Tetralins Organic sulfuric acids and derivatives Ketones Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Oxosteroid - 17-oxosteroid - Estrane-skeleton - Phenanthrene - Tetralin - Benzenoid - Organic sulfuric acid or derivatives - Ketone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
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

Estructura 3D

Objetivos asociados (humanos)

CA1 Tclin Carbonic anhydrase 1 (4 Activities)

Discover Target: CA1

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

CA2 Tclin Carbonic anhydrase 2 (10 Activities)

Discover Target: CA2

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

CA9 Tclin Carbonic anhydrase 9 (4 Activities)

Discover Target: CA9

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

STS Tchem Steryl-sulfatase (47 Activities)

Discover Target: STS

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

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

SULT2A1 Tbio Alcohol sulfotransferase (89 Activities)

Discover Target: SULT2A1

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

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

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

CA6 Tclin Carbonic anhydrase VI (993 Activities)

Discover Target: CA6

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

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

STS Tchem Steryl-sulfatase (1865 Activities)

Discover Target: STS

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Fecha	Articulo
K2521045	Certificate of Analysis	Dec 03, 2025	E336532
H2231494	Certificate of Analysis	Jun 10, 2025	E336532
H2231495	Certificate of Analysis	Jun 10, 2025	E336532
H2231496	Certificate of Analysis	Jun 10, 2025	E336532
H2231497	Certificate of Analysis	Jun 10, 2025	E336532
H2231498	Certificate of Analysis	Jun 10, 2025	E336532
H2231499	Certificate of Analysis	Jun 10, 2025	E336532

Solubilidad	Soluble in DMSO and Methanol
Sensibilidad	Hygroscopic
Punto de fusión (°C)	195-197°C (lit.)
Peso molecular	349.400 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	349.135 Da
Monoisotopic Mass	349.135 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	627.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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

Estrone 3-O-Sulfamate - ≥97% , CAS No.148672-09-7

Why this grade

Storage & shipping

Quality documents

Literature proof

Descripción general

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

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