Tìm theo
AN2728
antipsoriatic agents
Thuốc Gốc
Small Molecule
CTHH: C14H14BNO3
PTK: 255.077
AN2728 is a novel oxaborole in development for the topical treatment of psoriasis. Since psoriasis pathology includes an overproduction of pro-inflammatory and T-cell-produced cytokines, a small molecule that inhibits production of these cytokines without non-specifically inhibiting cellular functions, such as AN2728, is desirable.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H14BNO3
Phân tử khối
255.077
Monoisotopic mass
255.106673785
InChI
InChI=1S/C14H14BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,8-9,16H2
InChI Key
InChIKey=USQKBFNKMYRGGS-UHFFFAOYSA-N
IUPAC Name
5-[4-(aminomethyl)phenoxy]-1,3-dihydro-2,1-benzoxaborol-1-ol
Traditional IUPAC Name
5-[4-(aminomethyl)phenoxy]-3H-2,1-benzoxaborol-1-ol
SMILES
NCC1=CC=C(OC2=CC=C3B(O)OCC3=C2)C=C1
Độ hòa tan
9.99e-02 g/l
logP
1.79
logS
-3.4
pKa (strongest acidic)
8.84
pKa (Strongest Basic)
9.59
PSA
64.71 Å2
Refractivity
68.35 m3·mol-1
Polarizability
27.33 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : AN2728 has broad-spectrum anti-inflammatory activity. It suppresses most pro-inflammatory Th1 and Th2 cytokines. This activity is in the low micromolar range, sufficient for topical application.
Cơ Chế Tác Dụng : AN2728 is a novel oxaborole in development for the topical treatment of psoriasis. Since psoriasis pathology includes an overproduction of pro-inflammatory and T-cell-produced cytokines, a small molecule that inhibits production of these cytokines without non-specifically inhibiting cellular functions, such as AN2728, is desirable. AN2728 is the product of a focused medicinal chemistry effort to create small molecules that inhibit TNF-alpha, the inflammatory cytokine that is the target of the powerful monoclonal antibodies now marketed for the treatment of psoriasis. Company researchers have shown that AN2728 suppresses the phosphodiesterase 4 (PDE4) enzyme, leading to TNF-alpha inhibition.
Chỉ Định : Intended for the treatment of psoriasis.
Liều Lượng & Cách Dùng : Cream - Topical
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05219
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