133050 <common-name>SR12813</common-name> <description>SR12813 is an organic compound with the chemical formula C24H42O7P2. SR12813 belongs to the bisphosphonates, a subclass of organic phosphonic acids and derivatives within the organic compounds. With an average molecular weight of 504.53 g/mol, SR12813 is a heavy molecule. This compound acts as a modulator of two recorded protein targets: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMGCR) and Nuclear receptor subfamily 1 group I member 2 (NR1I2).</description> <cas>126411-39-0</cas> <pubchem-id>446313</pubchem-id> <chemical-formula>C24H42O7P2</chemical-formula> <weight>504.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-14T15:13:04Z</created-at> <updated-at type="dateTime">2026-08-22T04:16:45Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB04466</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC</moldb-smiles> <moldb-formula>C24H42O7P2</moldb-formula> <moldb-inchi>InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3</moldb-inchi> <moldb-inchikey>YQLJDECYQDRSBI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">504.5336</moldb-average-mass> <moldb-mono-mass type="decimal">504.240576722</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.75</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM128943</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>diethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(diethoxyphosphoryl)ethenyl]phosphonate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Organic phosphonic acids and derivatives</klass> <subklass>Bisphosphonates</subklass> <paper-count type="integer">237</paper-count> <sync-id>CED0014443</sync-id> <structure-inchikey>YQLJDECYQDRSBI-UHFFFAOYSA-N</structure-inchikey> 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