Tìm theo
Remikiren
Thuốc Gốc
Small Molecule
CAS: 126222-34-2
ATC: C09XA01
CTHH: C33H50N4O6S
PTK: 630.838
Remikiren is an orally active, high specificity renin inhibitor.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
630.838
Monoisotopic mass
630.345106042
InChI
InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28-,29+,30-/m0/s1
InChI Key
InChIKey=UXIGZRQVLGFTOU-PUNKFERVSA-N
IUPAC Name
(2S)-2-[(2R)-2-benzyl-3-(2-methylpropane-2-sulfonyl)propanamido]-N-[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
Traditional IUPAC Name
remikiren
SMILES
CC(C)(C)S(=O)(=O)C[[email protected]](CC1=CC=CC=C1)C(=O)N[[email protected]@H](CC1=CN=CN1)C(=O)N[[email protected]](CC1CCCCC1)[[email protected]](O)[[email protected]](O)C1CC1
Độ hòa tan
2.13e-02 g/l
logP
3.9
logS
-4.5
pKa (strongest acidic)
12.32
pKa (Strongest Basic)
6.74
PSA
161.48 Å2
Refractivity
169.6 m3·mol-1
Polarizability
68.67 Å3
Rotatable Bond Count
16
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
caco2 Permeability
-6.13
Dược Lực Học : Remikiren is an orally available renin inhibitor with an established blood pressure-lowering effect in patients with essential hypertension. No data are available on the renal effects of remikiren in humans. In patients with essential hypertension, a single oral dose of remikiren can induce a renal vasodilation, without affecting the GFR and despite a significant decrease in blood pressure. This systemic and renal hemodynamic response is more pronounced in case of a more activated renin-angiotensin system.
Cơ Chế Tác Dụng : Remikiren is an orally active, high specificity renin inhibitor. Several in vivo experiments have shown that remikiren is specific for renin and does not decrease arterial pressure by an unrelated mechanism.
Dược Động Học :
▧ Absorption :
Absorbed following oral administration.
▧ Protein binding :
83%
Chỉ Định : For the treatment of hypertension and heart failure
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