3-O-Methyl Estradiol - Moligand™, ≥98% , Channel blocker of TRPML1;Inhibitor of TRPML1;Inhibitor of TRPML2;Inhibitor of TRPML3, CAS No.1035-77-4, Channel blocker of TRPML1;Inhibitor of TRPML1;Inhibitor of TRPML2;Inhibitor of TRPML3

CAS: 1035-77-4 Cat. No.: E610190 Summenformel: C₁₉H₂₆O₂ Molekulargewicht: 286.41 EG-Nummer: 213-858-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-Methoxyoestradiol | NSC 58851 | 3-Methoxyestradiol | 17beta-Estradiol 3-methyl ether | Oestradiol 3-methyl ether | 3-O-Methyl Estradiol | 3-Methoxy-13β-methyl-1,3,5(10)-gonatrien-17β-ol | 17β)-3-Methoxyestra-1,3,5(10)-trien-17-ol | 3-O-Methylestradiol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

3-Methoxyoestradiol | NSC 58851 | 3-Methoxyestradiol | 17beta-Estradiol 3-methyl ether | Oestradiol 3-methyl ether | 3-O-Methyl Estradiol | 3-Methoxy-13β-methyl-1,3,5(10)-gonatrien-17β-ol | 17β)-3-Methoxyestra-1,3,5(10)-trien-17-ol | 3-O-Methylestradiol

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

CHANNEL BLOCKER, INHIBITOR

Mechanismus der Wirkung

Channel blocker of TRPML1;Inhibitor of TRPML1;Inhibitor of TRPML2;Inhibitor of TRPML3

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508817275
• Kanonisches Lächeln: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC
• IUPAC Name: (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
• InChIKey: ULAADVBNYHGIBP-GFEQUFNTSA-N
• INCHI: 1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1
• Isomere SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC
• WGK Deutschland: 2
• Alternative CAS-Nummer: 94535-16-7,1035-77-4
• NSC-Nummer: 58851
• MeSH-Eintrag: 3-methoxy-17 beta-estradiol;E2 methyl;estradiol-17 beta-3-methyl ether;estradiol-17 beta-3-methyl ether, ((13alpha,17alpha)-(+-))-isomer;estradiol-17 beta-3-methyl ether, ((13alpha,17beta)-(+-))-isomer;estradiol-17 beta-3-methyl ether, ((14beta,17alpha)-(
• Molekulargewicht: 286.41
• Reaxy-Rn: 1914697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914697&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrane steroids
• Alternative Parents: 17-hydroxysteroids Phenanthrenes and derivatives Tetralins Anisoles Alkyl aryl ethers Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 17-hydroxysteroid - Estrane-skeleton - Hydroxysteroid - Phenanthrene - Tetralin - Anisole - Alkyl aryl ether - Benzenoid - Cyclic alcohol - Secondary alcohol - Ether - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: 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

Data sources

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

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MCOLN2 Tchem Mucolipin-2 (0 Activities)

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MCOLN3 Tchem Mucolipin-3 (0 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 35.6 °F
• Flammpunkt (°C): 2 °C
• Molekulargewicht: 286.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.193 Da
• Monoisotopic Mass: 286.193 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 395.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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