Tìm theo
Neopterin
Thuốc Gốc
Small Molecule
CAS: 2009-64-5
CTHH: C9H11N5O4
PTK: 253.2147
A pteridine derivative present in body fluids; elevated levels result from immune system activation, malignant disease, allograft rejection, and viral infections. (From Stedman, 26th ed) Neopterin also serves as a precursor in the biosynthesis of biopterin. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H11N5O4
Phân tử khối
253.2147
Monoisotopic mass
253.081103865
InChI
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1
InChI Key
InChIKey=BMQYVXCPAOLZOK-INEUFUBQSA-N
IUPAC Name
2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydropteridin-4-one
Traditional IUPAC Name
neopterin
SMILES
NC1=NC2=NC=C(N=C2C(=O)N1)[C@@H](O)[C@H](O)CO
Độ hòa tan
6.26e+00 g/l
logP
-2.8
logS
-1.6
pKa (strongest acidic)
9.99
pKa (Strongest Basic)
0.98
PSA
153.95 Å2
Refractivity
60.11 m3·mol-1
Polarizability
23.35 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02385
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=444632
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506345
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05926
Wikipedia
http://en.wikipedia.org/wiki/Neopterin
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