Pactimibe
Grundinformationen
- CAS
189198-30-9- Standard-SMILES
CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21- InChIKey
TXIIZHHIOHVWJD-UHFFFAOYSA-N- Summenformel
- C25H40N2O3
- Durchschnittliche Molmasse
- 416,6 g/mol
- Monoisotopische Masse
- 416,30389314
Überblick
Pactimibe has been used in trials studying the treatment of Atherosclerosis and Coronary Heart Disease.
Namen und Bezeichner
- Bevorzugter Name
- Pactimibe
- IUPAC
- 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid
- Englischer Name
- 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindo l-5-yl]acetic acid
- Summenformel
- C25H40N2O3
- Molmasse
- 416.6
Namen und Synonyme
Pactimibe189198-30-9pactimibaD874R9PZ9T(7-(2,2-Dimethylpropanamido)-4,6-dimethyl-1-octylindolin-5-yl)acetic acidDTXSID80172315pactimibum[7-(2,2-Dimethylpropanamido)-4,6-dimethyl-1-octylindolin-5-yl]acetic acidRefChem:169502DTXCID10948062-(7-(2,2-dimethylpropanamido)-4,6-dimethyl-1-octyl-2,3-dihydro-1H-indol-5-yl)acetic acidUNII-D874R9PZ9T
Weitere Namen anzeigen
PactiMib2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindo l-5-yl]acetic acid7-[(2,2-Dimethyl-1-oxopropyl)amino]-2,3-dihydro-4,6-dimethyl-1-octyl-1H-indole-5-acetic acid
Pactimibe [INN:BAN]CHEMBL4788582-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid1H-Indole-5-acetic acid, 7-[(2,2-dimethyl-1-oxopropyl)amino]-2,3-dihydro-4,6-dimethyl-1-octyl-1H-Indole-5-acetic acid, 7-((2,2-dimethyl-1-oxopropyl)amino)-2,3-dihydro-4,6-dimethyl-1-octyl-Pactimibe free base(7-(2,2-dimethylpropanamido)-4,6-dimethyl-1-octylindolin-5-yl)acetic acid hemisulfate189198-30-9 (free base)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,3
- Polarare Oberfläche (TPSA)
- 69,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 571
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Siedepunkt
- 604.4 · 604.4±55.0 °C(Predicted)
- Dichte
- 1.071 · 1.071
- storage temp.
- 4 °C, · 4°C, away from moisture
- Löslichkeit
- 200 mg/mL · DMSO: 200 mg/mL (480.08 mM)
- pka
- 4 · 4.00±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Chemie und Industrie
Anbieter13 Anbieter
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
重庆卡兰医药有限公司[email protected]
Zugehörige Reaktionen
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