Tìm theo
CEP-1347
Thuốc Gốc
Small Molecule
CTHH: C33H33N3O5S2
PTK: 615.762
CEP-1347 is a semi-synthetic compound shown to protect multiple nerve cell types from a variety of insults leading to programmed cell death (apoptosis) which could improve the survival of dopamine neurons prior to and after transplantation.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C33H33N3O5S2
Phân tử khối
615.762
Monoisotopic mass
615.186162561
InChI
InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-23-19(11-17)27-28-21(14-34-31(28)37)26-20-12-18(16-43-6-2)8-10-24(20)36-30(26)29(27)35(23)25-13-22(32(38)41-39-4)33(36,3)40-25/h7-12,22,25H,5-6,13-16H2,1-4H3,(H,34,37)/t22-,25+,33+/m1/s1
InChI Key
InChIKey=WMBUVOLZSWTKMP-KQFGJPIXSA-N
IUPAC Name
methyl (15S,16S,18S)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboperoxoate
Traditional IUPAC Name
methyl (15S,16S,18S)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboperoxoate
SMILES
[H][C@@]12C[C@H](C(=O)OOC)[C@](C)(O1)N1C3=C(C=C(CSCC)C=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC(CSCC)=C5)N2C4=C13
Độ hòa tan
1.11e-02 g/l
logP
6.26
logS
-4.8
pKa (strongest acidic)
13.91
pKa (Strongest Basic)
-1.6
PSA
83.72 Å2
Refractivity
171.22 m3·mol-1
Polarizability
88.35 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
8
Bioavailability
0
MDDR-Like Rule
true
Cơ Chế Tác Dụng : CEP-1347 is a semi-synthetic compound shown to protect multiple nerve cell types from a variety of insults leading to programmed cell death (apoptosis) which could improve the survival of dopamine neurons prior to and after transplantation. CEP-1347, an orally active molecule, is a selective and potent inhibitor of the stress-activated protein kinase pathway, an intracellular signaling pathway that is an essential component of the stress response leading to neuronal death. In-vitro cell culture systems and in-vivo mouse and non-human primate models of Parkinson's disease have shown that CEP-1347 protects dopamine neurons in the substantia nigra, the area of the brain affected by Parkinson's disease.
Chỉ Định : Investigated for use/treatment in asthma and parkinson's disease.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05403
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=133005
ChemSpider
http://www.chemspider.com/Chemical-Structure.117379.html
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