Tìm theo
PTI-901
Thuốc Gốc
Small Molecule
CTHH: C20H24ClNO4
PTK: 377.862
PTI-901 (low-dose naltrexone HCI) is Pain Therapeutics' novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. Such an imbalance may be triggered by emotional stress, metabolic disorders or intrinsic release of opioids from neurons in the gut. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H24ClNO4
Phân tử khối
377.862
Monoisotopic mass
377.139385968
InChI
InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1
InChI Key
InChIKey=RHBRMCOKKKZVRY-ITLPAZOVSA-N
IUPAC Name
(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one hydrochloride
Traditional IUPAC Name
naltrexone hydrochloride
SMILES
Cl.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O
logP
1.36
pKa (strongest acidic)
7.39
pKa (Strongest Basic)
11.54
PSA
70 Å2
Refractivity
91.5 m3·mol-1
Polarizability
35.97 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
6
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : IBS is a chronic, painful abdominal disorder that leads to major changes in bowel habits. IBS causes some patients to have constipation, diarrhea or in some cases both. The cause of IBS is not known, and as yet there is no cure. People with chronic IBS may be unable to attend social events, hold a job, or travel away from home. Over 10 percent of the U.S. population suffers from IBS. For unknown reasons, IBS predominantly affects women. PTI-901 (low-dose naltrexone HCI) is Pain Therapeutics' novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS
Cơ Chế Tác Dụng : PTI-901 (low-dose naltrexone HCI) is Pain Therapeutics' novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. Such an imbalance may be triggered by emotional stress, metabolic disorders or intrinsic release of opioids from neurons in the gut. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut
Chỉ Định : Investigated for use/treatment in irritable bowel syndrome (IBS).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05508
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5485201
ChemSpider
http://www.chemspider.com/Chemical-Structure.4588651.html
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