Tìm theo
2-Methoxyestradiol
Các tên gọi khác (8 ) :
  • 2-Hydroxyestradiol 2-methyl ether
  • 2-Hydroxyestradol 2-methyl ether
  • 2-MeOE2
  • 2-methoxy-17beta-estradiol
  • 2-methoxyestra-1(10),2,4-triene-3,17-diol
  • 2-Methoxyestradiol-17beta
  • 2ME2
  • ESM
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 362-07-2
CTHH: C19H26O3
PTK: 302.4079
2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It has undergone Phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. [Wikipedia]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H26O3
Phân tử khối
302.4079
Monoisotopic mass
302.188194698
InChI
InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12?,13?,15?,18-,19-/m0/s1
InChI Key
InChIKey=CQOQDQWUFQDJMK-WRWXEFHESA-N
IUPAC Name
(14S,15S)-4-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
Traditional IUPAC Name
(14S,15S)-4-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
SMILES
COC1=C(O)C=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3C2=C1
Độ hòa tan
9.68e-03 g/l
logP
3.59
logS
-4.5
pKa (strongest acidic)
10.29
pKa (Strongest Basic)
-0.88
PSA
49.69 Å2
Refractivity
86.37 m3·mol-1
Polarizability
35.21 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : 2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator.
Cơ Chế Tác Dụng : 2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It has undergone Phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. [Wikipedia] 2-Methoxyestradiol is an angiogenesis inhibitor, and has been shown to attack both tumor cells and their blood supply in preclinical testing. 2-methoxyestradiol is a naturally occurring estrogen metabolite but has no undesired estrogenic activity.
Dược Động Học :

▧ Protein binding :
2ME2 was found to bind in decreasing order to plasma>albumin>alpha1-acid glycoprotein>sex-hormone-binding globulin. Plasma concentration-time profiles of total 2ME2 and unbound 2ME2 concentrations in a patient with cancer receiving 2ME2 as a single oral dose were parallel to each other. Thus, indicating that plasma protein binding is not an important consideration in pharmacokinetic monitoring of 2ME2.
▧ Metabolism :
In vivo metabolism, assessed using 24-h collections of urine from cancer patients treated with 2ME2 revealed that <0.01% of the total administered dose of 2ME2 is excreted unchanged in urine and about 1% excreted as glucuronides. Collectively, this suggests that glucuronidation and subsequent urinary excretion are elimination pathways for 2ME2.
Chỉ Định : For the treatment of breast cancer and inflammatory diseases such as rheumatoid arthritis.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Panzem
  • Công ty :
    Sản phẩm biệt dược : Panzem NCD
  • Công ty :
    Sản phẩm biệt dược : Pulmolar
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02342
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05302
PharmGKB
http://www.pharmgkb.org/drug/PA13496724
Wikipedia
http://en.wikipedia.org/wiki/2-Methoxyestradiol
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