Tìm theo
Rescinnamine
Các tên gọi khác (4 ) :
  • 3,4,5-Trimethoxycinnamoyl methyl reserpate
  • Rescinnamine
  • Trimethoxy cinnamoyl reserpate de methyl
  • Tsuruselpi S
Thuốc Gốc
Small Molecule
CAS: 24815-24-5
ATC: C02AA01
CTHH: C35H42N2O9
PTK: 634.716
Rescinnamine is an angiotensin-converting enzyme inhibitor used as an antihypertensive drug. It is an alkaloid obtained from Rauwolfia serpentina and other species of Rauwolfia. [Wikipedia]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C35H42N2O9
Phân tử khối
634.716
Monoisotopic mass
634.289030952
InChI
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
InChI Key
InChIKey=SZLZWPPUNLXJEA-QEGASFHISA-N
IUPAC Name
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Traditional IUPAC Name
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
SMILES
[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2
Độ tan chảy
238.5 °C
Độ hòa tan
3.49e-03 g/l
logP
3.5
logS
-5.3
pKa (strongest acidic)
16.29
pKa (Strongest Basic)
7.56
PSA
117.78 Å2
Refractivity
171.16 m3·mol-1
Polarizability
69.65 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
8
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
6
Bioavailability
0
MDDR-Like Rule
true
Dược Lực Học : Used to treat hypertension. Rescinnamine inhibits angiotensin-converting enzyme. ACE is a peptidyl dipeptidase that catalyzes the conversion of angiotensin I to the vasoconstrictor substance, angiotensin II. Angiotensin II also stimulates aldosterone secretion by the adrenal cortex and general vasoconstriction, both of which lead to increases vascular resistance. By inhibiting angiotensin II, aldosterone reabsorption is decreased as well as vasoconstriction. This combined effect serves to decrease blood pressure.
Cơ Chế Tác Dụng : Rescinnamine is an angiotensin-converting enzyme inhibitor used as an antihypertensive drug. It is an alkaloid obtained from Rauwolfia serpentina and other species of Rauwolfia. [Wikipedia] Rescinnamine Binds to and inhibits the angiotensin converting enzyme. Rescinnamine competes with angiotensin I for binding at the angiotensin-converting enzyme, blocking the conversion of angiotensin I to angiotensin II. Inhibition of ACE results in decreased plasma angiotensin II. As angiotensin II is a vasoconstrictor and a negative-feedback mediator for renin activity, lower concentrations result in a decrease in blood pressure and stimulation of baroreceptor reflex mechanisms, which leads to decreased vasopressor activity and to decreased aldosterone secretion.
Chỉ Định : For the treatment of hypertension.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Tsuruselpi S
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01180
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5280954
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507786
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C06540
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00198
ChemSpider
http://www.chemspider.com/Chemical-Structure.30295.html
PharmGKB
http://www.pharmgkb.org/drug/PA164768818
Wikipedia
http://en.wikipedia.org/wiki/Rescinnamine
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