Tìm theo
Flavopiridol
Các tên gọi khác (1) :
  • Alvocidib
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 131740-09-5
CTHH: C21H20ClNO5
PTK: 401.84
Flavopiridol is a synthetic flavonoid based on an extract from an Indian plant for the potential treatment of cancer. It works by inhibiting cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H20ClNO5
Phân tử khối
401.84
Monoisotopic mass
401.103000462
InChI
InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
InChI Key
InChIKey=BIIVYFLTOXDAOV-YVEFUNNKSA-N
IUPAC Name
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one
Traditional IUPAC Name
flavopiridol
SMILES
CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl
Độ hòa tan
9.40e-02 g/l
logP
2.48
logS
-3.6
pKa (strongest acidic)
6.71
pKa (Strongest Basic)
7.36
PSA
90.23 Å2
Refractivity
107.74 m3·mol-1
Polarizability
40.85 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : Flavopiridol is a synthetic flavonoid based on an extract from an Indian plant for the potential treatment of cancer. It works by inhibiting cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells. Inhibits cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.
Chỉ Định : Investigated for use/treatment in esophageal cancer, leukemia (lymphoid), lung cancer, liver cancer, and lymphoma (unspecified).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03496
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5287969
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507266
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5655
PharmGKB
http://www.pharmgkb.org/drug/PA452627
... loading
... loading