Estramustine phosphate sodium - ≥95% , Estrogen receptor beta modulator, CAS No.52205-73-9, Estrogen receptor beta modulator

CAS: 52205-73-9 Cat. No.: E275650 Fórmula: C₂₃H₃₀Cl₂NNa₂O₆P Peso molecular: 564.35 Número CE: 257-735-7 PubChem CID: 444000

GRADE & PURITY ≥95%

Synonyms

Estramustine 17-(Dihydrogenphosphate) Disodium Salt | Leo-299 | Estramustine phosphate sodium hydrate | AC-1612 | disodium (17beta)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate | Estramustine sodium phosphate | ESTRAMUSTINE SO

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

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.

Specifications

Sinónimos

Estramustine 17-(Dihydrogenphosphate) Disodium Salt | Leo-299 | Estramustine phosphate sodium hydrate | AC-1612 | disodium (17beta)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate | Estramustine sodium phosphate | ESTRAMUSTINE SO

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

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.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

MODULATOR

Mecanismo de ação

Estrogen receptor beta modulator

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528776371
• Sorrisos canónicos: CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]
• 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
• InChIKey: IIUMCNJTGSMNRO-VVSKJQCTSA-L
• 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
• SMILES isoméricas: 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
• Peso molecular: 564.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Estrane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water to 75 mM
• Sensibilidade: light & moisture sensitive
• Peso molecular: 564.300 g/mol
• 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

XLogP3