Tìm theo
ATL-2502
Thuốc Gốc
Small Molecule
CTHH: C28H31NaO9S
PTK: 566.595
ATL-2502(Colal-Pred) is an old drug (prednisolone metasulphobenzoate, a steroid) with a new delivery system that releases the medication only in the colon. Releasing the drug directly into the colon reduces the potential for significant side effects often experienced with steroid drugs. Colal-Pred is being studied for use in ulcerative colitis.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C28H31NaO9S
Phân tử khối
566.595
Monoisotopic mass
566.158647955
InChI
InChI=1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1
InChI Key
InChIKey=RWFZSORKWFPGNE-UHFFFAOYSA-M
IUPAC Name
sodium 3-[(2-{14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl}-2-oxoethoxy)carbonyl]benzene-1-sulfonate
Traditional IUPAC Name
sodium 3-[(2-{14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl}-2-oxoethoxy)carbonyl]benzenesulfonate
SMILES
[Na+].CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O
Độ hòa tan
2.49e-02 g/l
logP
0.81
logS
-4.4
pKa (strongest acidic)
-2.5
pKa (Strongest Basic)
-2.9
PSA
158.1 Å2
Refractivity
137.82 m3·mol-1
Polarizability
55.75 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
5
Bioavailability
1
MDDR-Like Rule
true
Cơ Chế Tác Dụng : ATL-2502(Colal-Pred) is an old drug (prednisolone metasulphobenzoate, a steroid) with a new delivery system that releases the medication only in the colon. Releasing the drug directly into the colon reduces the potential for significant side effects often experienced with steroid drugs. Colal-Pred is being studied for use in ulcerative colitis. ATL-2502 is the combination of Alizyme's proprietary colonic drug delivery system, colal, and prednisolone metasulfobenzoate sodium ("PMSBS"), an approved steroid in Europe. colal-PRED has a starch coating that is only broken down in the gut by bacteria occurring in the colon. This leads to topical delivery of PMSBS to the colon rather than systemic delivery with the objective of providing efficacy, but without the side effects of steroids; however, the efficacy and safety of colal-PRED must be shown in well-controlled, prospective clinical trials and approved by the FDA.
Chỉ Định : Investigated for use/treatment in inflammatory bowel disease and ulcerative colitis.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Colal-Pred
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05340
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=12421
ChemSpider
http://www.chemspider.com/Chemical-Structure.11914.html
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