Tìm theo
TMC278
Thuốc Gốc
Small Molecule
CAS: 500287-72-9
CTHH: C22H18N6
PTK: 366.4185
TMC278 is an investigational non-nucleoside reverse transcriptase inhibitor (NNRTI) under development. TMC278 is a diarylpyrimidine derivative, a new series of NNRTIs which show high intrinsic activity against both wild-type HIV-1 and against HIV strains harboring resistance inducing mutations.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H18N6
Phân tử khối
366.4185
Monoisotopic mass
366.159294606
InChI
InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
InChI Key
InChIKey=YIBOMRUWOWDFLG-ONEGZZNKSA-N
IUPAC Name
4-{[4-({4-[(1E)-2-cyanoeth-1-en-1-yl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
Traditional IUPAC Name
rilpivirine
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1
Độ hòa tan
1.16e-02 g/l
logP
5.47
logS
-4.5
pKa (strongest acidic)
12.93
pKa (Strongest Basic)
5.16
PSA
97.42 Å2
Refractivity
111.74 m3·mol-1
Polarizability
40.65 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Ghose Filter
true
Dược Động Học :

▧ Half Life :
38 hours
Chỉ Định : Investigated for use/treatment in HIV infection.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05083
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6451164
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10560392
ChemSpider
http://www.chemspider.com/Chemical-Structure.4953643.html
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