Tìm theo
DN-101
Thuốc Gốc
Small Molecule
CTHH: C27H44O3
PTK: 416.6365
DN-101 is produced by Novacea Inc. OHSU and Beer have significant financial interest in Novacea Inc., a company that has a commercial interest in the results of this research and technology. It is a newly formulated pill that contains high amounts of calcitriol, a naturally occurring hormone and the biologically active form of vitamin D.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H44O3
Phân tử khối
416.6365
Monoisotopic mass
416.329045274
InChI
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
InChI Key
InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N
IUPAC Name
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Traditional IUPAC Name
calcitriol
SMILES
C[C@H](CCCC(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Độ hòa tan
6.67e-03 g/l
logP
4.35
logS
-4.8
pKa (strongest acidic)
14.39
pKa (Strongest Basic)
-1.3
PSA
60.69 Å2
Refractivity
126.53 m3·mol-1
Polarizability
51.37 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Cơ Chế Tác Dụng : DN-101 is produced by Novacea Inc. OHSU and Beer have significant financial interest in Novacea Inc., a company that has a commercial interest in the results of this research and technology. It is a newly formulated pill that contains high amounts of calcitriol, a naturally occurring hormone and the biologically active form of vitamin D. DN-101 delivers activated vitamin D in amounts that are far higher than the natural levels of this hormone. DN-101 provides Myelodysplastic Syndrome (MDS)MDS patients with high doses of calcitriol in a pill form. DN-101 in combination with docetaxel seems to improve overall survival and, interestingly, has a favorable safety profile compared with docetaxel alone.
Chỉ Định : Investigated for use/treatment in cancer/tumors (unspecified), lung cancer, myelodysplastic syndrome, and prostate cancer.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Asentar
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05314
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5280453
ChemSpider
http://www.chemspider.com/Chemical-Structure.4444108.html
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