Tìm theo
Staurosporine
Thuốc Gốc
Small Molecule
CAS: 62996-74-1
CTHH: C28H26N4O3
PTK: 466.531
An indolocarbazole that is a potent protein kinase C inhibitor which enhances cAMP-mediated responses in human neuroblastoma cells. (Biochem Biophys Res Commun 1995;214(3):1114-20)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C28H26N4O3
Phân tử khối
466.531
Monoisotopic mass
466.200490718
InChI
InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28-/m1/s1
InChI Key
InChIKey=HKSZLNNOFSGOKW-UCBFMKAXSA-N
IUPAC Name
(2R,3R,4R,6S)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one
Traditional IUPAC Name
staurosporine
SMILES
CN[C@@H]1C[C@@H]2O[C@](C)([C@@H]1OC)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O
Độ hòa tan
4.39e-02 g/l
logP
3.97
logS
-4
pKa (strongest acidic)
14.14
pKa (Strongest Basic)
9.55
PSA
69.45 Å2
Refractivity
132.37 m3·mol-1
Polarizability
51.38 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
8
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02010
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=44120114
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504923
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02079
ChemSpider
http://www.chemspider.com/Chemical-Structure.5089.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579
PharmGKB
http://www.pharmgkb.org/drug/PA165109623
Wikipedia
http://en.wikipedia.org/wiki/Staurosporine
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