2-Methoxyestradiol

• CAS: 362-07-2
• Catalog Number: ACM362072
• Category: Inhibitors
• Molecular Weight: 302.41
• Molecular Formula: C19H26O3
• Description: 2-Methoxyestradiol (2-ME2), an orally active endogenous metabolite of 17β-estradiol (E2), is an apoptosis inducer and an angiogenesis inhibitor with potent antineoplastic activity. 2-Methoxyestradiol also destablize microtubules. 2-Methoxyestradio, also a potent superoxide dismutase (SOD) inhibitor and a ROS-generating agent, induces autophagy in the transformed cell line HEK293 and the cancer cell lines U87 and HeLa.
• Synonyms: 2-Me2
• IUPAC Name: (8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O
• InChI Key: CQOQDQWUFQDJMK-SSTWWWIQSA-N
• Boiling Point: 464.4ºC at 760mmHg
• Melting Point: 188-190ºC
• Flash Point: 234.7ºC
• Density: 1.178g/cm³
• Appearance: Off-white solid
• Exact Mass: 302.18800
• Hazard Statements: T: Toxic
• Safety Description: 22-26-36/37/39-45-53-36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Methoxyestradiol?

The molecular formula of 2-Methoxyestradiol is C19H26O3.

What is the molecular weight of 2-Methoxyestradiol?

The molecular weight of 2-Methoxyestradiol is 302.4 g/mol.

What is the IUPAC name of 2-Methoxyestradiol?

The IUPAC name of 2-Methoxyestradiol is (8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.

What is the InChI of 2-Methoxyestradiol?

The InChI of 2-Methoxyestradiol is InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1.

What is the InChIKey of 2-Methoxyestradiol?

The InChIKey of 2-Methoxyestradiol is CQOQDQWUFQDJMK-SSTWWWIQSA-N.

What is the Canonical SMILES of 2-Methoxyestradiol?

The Canonical SMILES of 2-Methoxyestradiol is CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O.

What is the CAS number of 2-Methoxyestradiol?

The CAS number of 2-Methoxyestradiol is 362-07-2.

What is the ChEMBL ID of 2-Methoxyestradiol?

The ChEMBL ID of 2-Methoxyestradiol is CHEMBL299613.

What is the UNII of 2-Methoxyestradiol?

The UNII of 2-Methoxyestradiol is 6I2QW73SR5.

What is the Wikipedia page for 2-Methoxyestradiol?

The Wikipedia page for 2-Methoxyestradiol is "2-Methoxyestradiol".

Synthetic Use

Downstream Synthesis Route 1

• 362-07-2

• 362-08-3

Reference: [1]Edsall, Allison B.; Mohanakrishnan, Arasambattu K.; Yang, Donglai; Fanwick, Philip E.; Hamel, Ernest; Hanson, Arthur D.; Agoston, Gregory E.; Cushman, Mark
[Journal of Medicinal Chemistry, 2004, vol. 47, # 21, p. 5126 - 5139]

Downstream Synthesis Route 2

• 362-07-2
• 103321-49-9

• 897031-22-0

Reference: [1]Ho, Abby; Kim, Yang-eon; Lee, Hyo-Sung; Cyrus, Kedra; Baek, Sun-Hee; Kim, Kyung-Bo
[Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 13, p. 3383 - 3387]

* For details of the synthesis route, please refer to the original source to ensure accuracy.