Tìm theo
Piclamilast
Các tên gọi khác (1) :
  • RP 73-401
phosphodiesterase 4 inhibitors
Thuốc Gốc
Small Molecule
CAS: 144035-83-6
CTHH: C18H18Cl2N2O3
PTK: 381.253
Piclamilast (RP-73,401), is a selective PDE4 inhibitor. It is comparable to other PDE4 inhibitors for its anti-inflammatory effects. It has been investigated for its applications to the treatment of conditions such as chronic obstructive pulmonary disease, bronchopulmonary dysplasia and asthma. It is a second generation compound that exhibits structural functionalities of the PDE4 inhibitors cilomilast and roflumilast. The structure for piclamilast was first elucidated in a 1995 European patent application.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H18Cl2N2O3
Phân tử khối
381.253
Monoisotopic mass
380.069447866
InChI
InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChI Key
InChIKey=RRRUXBQSQLKHEL-UHFFFAOYSA-N
IUPAC Name
3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
Traditional IUPAC Name
piclamilast
SMILES
COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl
Độ hòa tan
6.10e-03 g/l
logP
4.09
logS
-4.8
pKa (strongest acidic)
8.25
pKa (Strongest Basic)
2.4
PSA
60.45 Å2
Refractivity
98.38 m3·mol-1
Polarizability
37.23 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01791
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=154575
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508612
ChemSpider
http://www.chemspider.com/Chemical-Structure.136184.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14775
Wikipedia
http://en.wikipedia.org/wiki/Piclamilast
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