Tìm theo
Becocalcidiol
Các tên gọi khác (1) :
  • QRX-101
antipsoriatic agents
Thuốc Gốc
Small Molecule
CAS: 524067-21-8
CTHH: C23H36O2
PTK: 344.5307
Becocalcidiol is a vitamin D(3) analogue which has not caused hypercalcaemia or significant irritation in preclinical trials.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H36O2
Phân tử khối
344.5307
Monoisotopic mass
344.271530396
InChI
InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1
InChI Key
InChIKey=QSLUXQQUPXBIHH-YHSKWIAJSA-N
IUPAC Name
(1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-butan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
Traditional IUPAC Name
(1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-butan-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
SMILES
CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1
Độ hòa tan
9.70e-03 g/l
logP
4.43
logS
-4.5
pKa (strongest acidic)
14.19
pKa (Strongest Basic)
-3
PSA
40.46 Å2
Refractivity
106.23 m3·mol-1
Polarizability
42.66 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Becocalcidiol (formerly QRX-101) is a novel vitamin D analogue for the treatment of mild to moderate psoriasis. In clinical and preclinical studies, becocalcidiol has been well tolerated with a low incidence of skin irritation. Based on the completed Phase IIb study, becocalcidiol was statistically superior to placebo in reducing plaque and did not result in excessive blood calcium levels, a side effect of existing calcitriol topical treatments for psoriasis.
Cơ Chế Tác Dụng : Becocalcidiol is a vitamin D(3) analogue which has not caused hypercalcaemia or significant irritation in preclinical trials. The mechanism of action of becocalcidiol in the treatment of psoriasis is accounted for by an antiproliferative activity for keratinocytes and the stimulation of epidermal cell differentiation.
Chỉ Định : For topical treatment of psoriasis and psoriatic disorders.
Liều Lượng & Cách Dùng : Ointment - Topical
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty : QuatRx
    Sản phẩm biệt dược : Asord
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04891
ChemSpider
http://www.chemspider.com/Chemical-Structure.4451487.html
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