Tìm theo
7,8-Dihydrobiopterin
Các tên gọi khác (8 ) :
  • 7,8-Dihydro-L-Biopterin
  • HBI
  • HBL
  • L-erythro-7,8-Dihydrobiopterin
  • L-erythro-dihydrobiopterin
  • L-erythro-q-dihydrobiopterin
  • q-BH2
  • quinonoid dihydrobiopterin
Thuốc Gốc
Small Molecule
CAS: 6779-87-9
CTHH: C9H13N5O3
PTK: 239.2312
7,8-dihydrobiopterin is an inhibitor of the enzyme dihydroneopterin aldolase (DHNA), which catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin and glycolaldehyde.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H13N5O3
Phân tử khối
239.2312
Monoisotopic mass
239.101839307
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m1/s1
InChI Key
InChIKey=FEMXZDUTFRTWPE-AWFVSMACSA-N
IUPAC Name
2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-3,4,7,8-tetrahydropteridin-4-one
Traditional IUPAC Name
7,8-dihydro-L-biopterin
SMILES
C[C@@H](O)[C@@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
Độ hòa tan
1.63e+00 g/l
logP
-1.9
logS
-2.2
pKa (strongest acidic)
10.81
pKa (Strongest Basic)
3.67
PSA
132.33 Å2
Refractivity
68.31 m3·mol-1
Polarizability
23.11 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
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/DB04400
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5460203
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508233
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02953
ChemSpider
http://www.chemspider.com/Chemical-Structure.247.html
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