Tìm theo
SR 31747
Thuốc Gốc
Small Molecule
CTHH: C23H35Cl2N
PTK: 396.437
SR31747 is a peripheral [sigma] ligand that binds four proteins in human cells, i.e. SRBP-1, [sigma]-2, HSI and its relative SRBP-2. It is a dual agent with both immunomodulatory and antiproliferative activities.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H35Cl2N
Phân tử khối
396.437
Monoisotopic mass
395.214655539
InChI
InChI=1S/C23H34ClN.ClH/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20;/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3;1H/b10-9-;
InChI Key
InChIKey=HKHPCMBPASXYGP-KVVVOXFISA-N
IUPAC Name
N-[(2Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-en-1-yl]-N-ethylcyclohexanamine hydrochloride
Traditional IUPAC Name
N-[(2Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-en-1-yl]-N-ethylcyclohexanamine hydrochloride
SMILES
Cl.CCN(C\C=C/C1=CC(Cl)=C(C=C1)C1CCCCC1)C1CCCCC1
logP
7.4
pKa (Strongest Basic)
9.95
PSA
3.24 Å2
Refractivity
111.68 m3·mol-1
Polarizability
44.23 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
1
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
3
Bioavailability
1
MDDR-Like Rule
true
Cơ Chế Tác Dụng : SR31747 is a peripheral [sigma] ligand that binds four proteins in human cells, i.e. SRBP-1, [sigma]-2, HSI and its relative SRBP-2. It is a dual agent with both immunomodulatory and antiproliferative activities. SR31747 blocks proliferation of human lymphocytes, modulates the expression of pro- and anti-inflammatory cytokines, and was shown to protect animals in vivo against acute and chronic inflammatory conditions such as acute graft-versus-host reaction, lethality induced by staphylococcal enterotoxin B and lipopolysaccharide or rheumatoid arthritis. Besides these immunomodulatory activities, the molecule also inhibits the proliferation of various tumor cell lines in vitro in a time- and concentration-dependent manner.
Chỉ Định : Investigated for use/treatment in cancer/tumors (unspecified), immunosuppressive, and prostate cancer.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05792
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6439330
ChemSpider
http://www.chemspider.com/Chemical-Structure.4943746.html
... loading
... loading