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Estramustine phosphate sodium

CAT: 0013-GTR19159109-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159109-02Size:500 mg
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Description
Estramustine phosphate sodium is an antimicrotubule chemotherapy agent; arrests prostate cancer cells in the G2/M phase of the cell cycle. (In Vitro) :Estramustine phosphate sodium (1 μg/ mL, 48 h) suppresses PC3 cell growth.Estramustine phosphate sodium (2 μg/mL, 48 h) elevates phosphatidylserine eversion amount on PC3 cells and induces PC3 cell apoptosis through reducing miR-31.Estramustine phosphate sodium (0-40 μM, 24-72 h) inhibits cell proliferation and tubulin cytoskeleton in RAW 264.7 cells.Estramustine phosphate sodium (10 μM, 24 h) inhibits TGF-β-induced RAW 264.7 cell migration, as well as TGF-β-induced uPA production by inhibiting Smad3 activation. (In Vivo) :Estramustine phosphate sodium (Intraperitoneal injection, 4 or 12 mg/kg, a daily dose for 2 weeks) inhibits PAC120 tumor growth 53% by day 35.
CAS Number
52205-73-9
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
H2O : 62.5 mg/mL 110.75 mM; DMSO : 5 mg/mL 8.86 mM
Smiles
[Na+].[Na+].ClCCN (CCCl) C (=O) Oc3cc4CC[C@@H]1[C@H] (CC[C@]2 (C) [C@H] (CC[C@@H]12) OP ([O-]) ([O-]) =O) c4cc3
Molecular Formula
C23H30Cl2NNa2O6P
Molecular Weight
564.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Estramustine Phosphate Sodium

Estramustine sodium phosphate is an organic sodium salt which is the disodium salt of estramustine phosphate. It contains an estramustine phosphate(2-).

CAS Number52205-73-9
PubChem CID444000
IUPAC Namedisodium;[(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
Molecular FormulaC23H30Cl2NNa2O6P
Molecular Weight564.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity735
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+]
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
Chemical Structure
2D Structure
2D structure of Estramustine Phosphate Sodium
CAS: 52205-73-9
CID: 444000
Formula: C23H30Cl2NNa2O6P
MW: 564.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass563.0983186
Monoisotopic Mass563.0983186
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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