Tìm theo
BNP 1350
Các tên gọi khác (1) :
  • Karenitecin
Thuốc Gốc
Small Molecule
CTHH: C25H28N2O4Si
PTK: 448.5863
BNP1350 is the novel camptothecin derivative which is also known as Karenitecin. It has been developed for superior oral bioavailability and increased lactone stability. It is used to treat cancer.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H28N2O4Si
Phân tử khối
448.5863
Monoisotopic mass
448.181833927
InChI
InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1
InChI Key
InChIKey=POADTFBBIXOWFJ-VWLOTQADSA-N
IUPAC Name
(19S)-19-ethyl-19-hydroxy-10-[2-(trimethylsilyl)ethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Traditional IUPAC Name
(19S)-19-ethyl-19-hydroxy-10-[2-(trimethylsilyl)ethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O
Độ hòa tan
1.94e-02 g/l
logP
2.4
logS
-4.4
pKa (strongest acidic)
11.71
pKa (Strongest Basic)
3.86
PSA
79.73 Å2
Refractivity
120.05 m3·mol-1
Polarizability
48.96 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : BNP1350 is the novel camptothecin derivative which is also known as Karenitecin. It has been developed for superior oral bioavailability and increased lactone stability. It is used to treat cancer. BNP1350, 7-[(2-trimethylsilyl)ethyl]-20(S)-camptothecin, is a novel semi-synthetic, highly lipophilic, silicon-containing camptothecin and an inhibitor of topoisomerase I. It has been supercomputer engineered for superior oral bioavailability, superior lactone stability, broad anti-tumor activity, increased potency and insensitivity to Pgp/MRP/LRP drug resistance.
Chỉ Định : Investigated for use/treatment in brain cancer, lung cancer, and melanoma.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05806
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=148202
ChemSpider
http://www.chemspider.com/Chemical-Structure.130651.html
Wikipedia
http://en.wikipedia.org/wiki/Camptothecin
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