1-naphthyl 2-(4-hydroxyphenyl)-3-(4-phenylselanylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate

ID: ALA5196589

Chembl Id: CHEMBL5196589

PubChem CID: 168285522

Max Phase: Preclinical

Molecular Formula: C34H26O5SSe

Molecular Weight: 625.60

Names and Identifiers

Canonical SMILES:  O=S(=O)(Oc1cccc2ccccc12)C1CC2OC1C(c1ccc([Se]c3ccccc3)cc1)=C2c1ccc(O)cc1

Standard InChI:  InChI=1S/C34H26O5SSe/c35-25-17-13-23(14-18-25)32-30-21-31(40(36,37)39-29-12-6-8-22-7-4-5-11-28(22)29)34(38-30)33(32)24-15-19-27(20-16-24)41-26-9-2-1-3-10-26/h1-20,30-31,34-35H,21H2

Standard InChI Key:  OAMLLIDSYCUHMQ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5196589

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 625.60

Molecular Weight (Monoisotopic): 626.0666

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References

1. Deng X, Xie B, Li Q, Xiao Y, Hu Z, Deng X, Fang P, Dong C, Zhou HB, Huang J..  (2022)  Discovery of Novel Bicyclic Phenylselenyl-Containing Hybrids: An Orally Bioavailable, Potential, and Multiacting Class of Estrogen Receptor Modulators against Endocrine-Resistant Breast Cancer.,  65  (11.0): [PMID:35611405] [10.1021/acs.jmedchem.2c00525]

Source

Source(1):

• Scientific Literature