ChemicalBook--->CAS DataBase List--->172377-52-5

172377-52-5

172377-52-5 Structure

172377-52-5 Structure
IdentificationBack Directory
[Name]

Motolimod
[CAS]

172377-52-5
[Synonyms]

E2MATE
ES-J 995
BLE 00084
Estradiol 3-sulfamate
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-sulfamate
[Molecular Formula]

C18H25NO4S
[MDL Number]

MFCD00947822
[MOL File]

172377-52-5.mol
[Molecular Weight]

351.46
Chemical PropertiesBack Directory
[Melting point ]

202-204 °C(Solv: methanol (67-56-1))
[Boiling point ]

531.1±60.0 °C(Predicted)
[density ]

1.319±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 62.5 mg/mL (177.83 mM)
[form ]

Solid
[pka]

8.88±0.70(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H360-H351
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501
Hazard InformationBack Directory
[Uses]

Estradiol 3-sulfamate (BLE 00084; E2MATE; ES-J 995) is a potent, long-acting, and orally active steroid sulfatase inhibitor; inhibits estrone sulfatase with an IC50 of 251 nM and a Ki of 133 nM.
[in vivo]

Estradiol 3-sulfamate is readily transformed and absorbed in the gut into its oxidative metabolite, EMATE, and both compounds have already been shown to be potent, long-acting, and orally active STS inhibitors[2].

[storage]

Store at -20°C
[References]

[1] Numazawa M, et al. Inhibition of estrone sulfatase by aromatase inhibitor-based estrogen 3-sulfamates. Steroids. 2006 May;71(5):371-9. DOI:10.1016/j.steroids.2005.12.004
[2] Pohl O, et al. Synergistic effects of E2MATE and norethindrone acetate on steroid sulfatase inhibition: a randomized phase I proof-of-principle clinical study in women of reproductive age. Reprod Sci. 2014 Oct;21(10):1256-65. DOI:10.1177/1933719114522526
Spectrum DetailBack Directory
[Spectrum Detail]

Motolimod(172377-52-5)1HNMR
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