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Price | Qty |
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E424471-1ml
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1ml |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$196.90
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Antimitotic, antitumour agent
| Synonyms | Estramustine phosphate sodium | 52205-73-9 | Estramustine sodium phosphate | Estramustine phosphate disodium | Emcyt | Ro 21-8837/001 | UNII-IQ856M1R16 | DTXSID2048953 | CHEBI:31562 | IQ856M1R16 | EINECS 257-735-7 | Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phos |
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| Specifications & Purity | 10mM in Water |
| Biochemical and Physiological Mechanisms | Antimitotic, antitumour agent. Nor-nitrogen mustard conjugate of estradiol ( Asc 657 ). Selective for prostate cells. Interferes with microtubule dynamics and reduces plasma levels of testosterone. Shows antineoplastic effects in vivo. |
| Storage Temp | Protected from light,Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Action Type | MODULATOR |
| Mechanism of action | Estrogen receptor beta modulator |
| Product Description |
Estramustine phosphate sodium (EMP, Emcyt, Estracyt) is an antitumour drug with a unique dual mode of action. Estrone and estradiol, products of the metabolism of estramustine phosphate sodium, have shown antigonadotrophic activity resulting in reduced testosterone levels. Estramustine(the cytotoxic metabolite produced by dephosphorylation of estramustine phosphate sodium) is an antiprostatic tumor drug with antimicrotubule effects. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Estrane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Estrane steroids |
| Alternative Parents | Phenanthrenes and derivatives Tetralins Nitrogen mustard compounds Alkyl phosphates Carbamate esters Organic carbonic acids and derivatives Organic metal halides Organopnictogen compounds Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Estrane-skeleton - Phenanthrene - Tetralin - Nitrogen mustard - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Organic metal halide - Organic alkali metal salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homopolycyclic compound |
| Description | 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 | organic sodium salt |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate |
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| INCHI | InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1 |
| InChIKey | IIUMCNJTGSMNRO-VVSKJQCTSA-L |
| Smiles | CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+] |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+] |
| PubChem CID | 444000 |
| Molecular Weight | 564.35 |
| Sensitivity | light & moisture sensitive |
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| Molecular Weight | 564.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 563.098 Da |
| Monoisotopic Mass | 563.098 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 735.000 |
| 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 | 3 |