Tìm theo
ERA-923
Thuốc Gốc
Small Molecule
CTHH: C29H32N2O3
PTK: 456.576
ER modulator, ERA-923(Pipendoxifene) is a estrogen receptor modulator being evaluated for the treatment of breast cancer. Pipendoxifene is a new 2-phenyl indole selective estrogen receptor modulators (SERM )that exhibits an excellent preclinical pharmacological profile and was selected for further development as a treatment for metastatic breast cancer.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C29H32N2O3
Phân tử khối
456.576
Monoisotopic mass
456.2412929
InChI
InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
InChI Key
InChIKey=JICOGKJOQXTAIP-UHFFFAOYSA-N
IUPAC Name
2-(4-hydroxyphenyl)-3-methyl-1-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)-1H-indol-5-ol
Traditional IUPAC Name
pipendoxifene
SMILES
CC1=C(N(CC2=CC=C(OCCN3CCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1
Độ hòa tan
9.33e-04 g/l
logP
5.82
logS
-5.7
pKa (strongest acidic)
9.51
pKa (Strongest Basic)
8.77
PSA
57.86 Å2
Refractivity
137.29 m3·mol-1
Polarizability
52.18 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
1
MDDR-Like Rule
true
Cơ Chế Tác Dụng : ER modulator, ERA-923(Pipendoxifene) is a estrogen receptor modulator being evaluated for the treatment of breast cancer. Pipendoxifene is a new 2-phenyl indole selective estrogen receptor modulators (SERM )that exhibits an excellent preclinical pharmacological profile and was selected for further development as a treatment for metastatic breast cancer. ERA-923 inhibits estrogen-stimulated growth associated with cytostasis. It has been shown to have a potent, selective oestrogen modulating effect, with few uterine side-effects.
Chỉ Định : Investigated for use/treatment in breast cancer.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05414
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6433099
ChemSpider
http://www.chemspider.com/Chemical-Structure.4938287.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099587
Wikipedia
http://en.wikipedia.org/wiki/Selective_estrogen_receptor_modulator
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