Tìm theo
VRX496
Thuốc Gốc
Small Molecule
CTHH: C32H45N3O4S
PTK: 567.782
VRX496 is the first and only lentiviral vector therapy approved by the FDA for clinical trials, according to VIRxSYS. The backbone of VRX496 consists of a genetically engineered version of HIV in which all the infectious components are removed and replaced with the therapeutic payload—a long antisense sequence that targets the HIV envelope protein and cripples the virus.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C32H45N3O4S
Phân tử khối
567.782
Monoisotopic mass
567.313077633
InChI
InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
InChI Key
InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N
IUPAC Name
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide
Traditional IUPAC Name
nelfinavir
SMILES
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C
Độ hòa tan
1.91e-03 g/l
logP
4.72
logS
-5.5
pKa (strongest acidic)
9.32
pKa (Strongest Basic)
8.18
PSA
101.9 Å2
Refractivity
162.67 m3·mol-1
Polarizability
63.8 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
4
Bioavailability
1
MDDR-Like Rule
true
Cơ Chế Tác Dụng : VRX496 is the first and only lentiviral vector therapy approved by the FDA for clinical trials, according to VIRxSYS. The backbone of VRX496 consists of a genetically engineered version of HIV in which all the infectious components are removed and replaced with the therapeutic payload—a long antisense sequence that targets the HIV envelope protein and cripples the virus. VRX496 is an autologous therapy that uses a patient’s own cells. Clinical sites collect white blood cells from individual patients by apheresis. VIRxSYS scientists purify the white blood cells to isolate CD4 T cells, which are transduced with VRX496. The genetically modified cells are expanded and reinfused into the patient. When HIV enters CD4 T cells to replicate, the antisense payload of VRX496 is transcribed, which binds the virus and destroys it. The goal is to repopulate a patient’s immune system with genetically engineered cells that promote immunity against HIV and prevent the progression to AIDS. Although not a cure, VRX496 could improve the quality of life for HIV patients by bringing viral loads down to low levels. This approach could slow or even reverse a patient’s progression to full-blown AIDS.
Chỉ Định : HIV infection
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05251
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=64143
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C07257
ChemSpider
http://www.chemspider.com/Chemical-Structure.57718.html
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