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Estramustine phosphate sodium - 10mM in Water, high purity , CAS No.52205-73-9, Estrogen receptor beta modulator

    Grade & Purity:
  • 10mM in Water
In stock
Item Number
E424471
Grouped product items
SKU Size
Availability
Price Qty
E424471-1ml
1ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$196.90

Antimitotic, antitumour agent

Basic Description

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
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.

Taxonomic Classification

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

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
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

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Sensitivity light & moisture sensitive
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

Solution Calculators

Reviews

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