Tìm theo
Thiorphan
Thuốc Gốc
Small Molecule
CAS: 76721-89-6
CTHH: C12H15NO3S
PTK: 253.317
A potent inhibitor of membrane metalloendopeptidase (enkephalinase). Thiorphan potentiates morphine-induced analgesia and attenuates naloxone-precipitated withdrawal symptoms.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H15NO3S
Phân tử khối
253.317
Monoisotopic mass
253.077264041
InChI
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
InChI Key
InChIKey=LJJKNPQAGWVLDQ-SNVBAGLBSA-N
IUPAC Name
2-[(2S)-2-benzyl-3-sulfanylpropanamido]acetic acid
Traditional IUPAC Name
thiorphan
SMILES
[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O
Độ hòa tan
4.45e-01 g/l
logP
1.46
logS
-2.8
pKa (strongest acidic)
4.02
pKa (Strongest Basic)
-1.8
PSA
66.4 Å2
Refractivity
67.15 m3·mol-1
Polarizability
25.93 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08626
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4369380
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99445097
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01619
ChemSpider
http://www.chemspider.com/Chemical-Structure.3571959.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21641
Wikipedia
http://en.wikipedia.org/wiki/Thiorphan
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