Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylate
Grundinformationen
- CAS
71145-03-4- Standard-SMILES
COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F- InChIKey
ZFLWDHHVRRZMEI-UHFFFAOYSA-N- Summenformel
- C16H15F3N2O4
- Durchschnittliche Molmasse
- 356,3 g/mol
- Monoisotopische Masse
- 356,09839145
Überblick
Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate is a pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6. It is a methyl ester, a C-nitro compound, a dihydropyridine and a member of (trifluoromethyl)benzenes.
Namen und Bezeichner
- Bevorzugter Name
- Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylate
- IUPAC
- methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
- Englischer Name
- (+/-)-BAY K 8644
- Summenformel
- C16H15F3N2O4
- Molmasse
- 356.3
Namen und Synonyme
71145-03-4BAY-K-8644BayK86443-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, methyl esterDTXSID301017346Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylateBK8644BayR5417Bay R5417Bay-K8644Bay R 5417R5417, Bay
Weitere Namen anzeigen
SQ-28873(±)-BAY-K-8644(RS)-BAY K 8644BAY K-8644 (+/-)(±)-Bay K 8644,98%BAYK 8644 (racemate)BAYK 8644BAYK-8644(+/-)-BAY K8644 CALCIUM SLOW CHANNEL
Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylateBK 8644BK-8644RefChem:388751CHEBI:34555DTXCID80834183Bay K 8644(+/-)-BAY K 8644
Datenbank-Bezeichner
- CAS
71145-03-4、98791-67-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 84,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 634
Experimentelle und physikochemische Eigenschaften
LogP2.46
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 °C · 166 °C
- Siedepunkt
- 429.2 · 429.2±45.0 °C(Predicted)
- Dichte
- 1.3548 · 1.3548 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 184 mg/mL · DMSO: 184 mg/mL
- pka
- -3.43 · -3.43±0.70(Predicted)
- Aggregatzustand
- Yellow solid.
- Farbe
- Yellow
- Wasserlöslichkeit
- 20 mg/ml · Soluble in DMSO at 20mg/ml. Also soluble in methanol or ethanol at 60mg/ml. Insoluble in water
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3
- InChIKey
- ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that increase calcium influx into calcium channels of excitable tissues. This causes vasoconstriction in VASCULAR SMOOTH MUSCLE and/or CARDIAC MUSCLE cells as well as stimulation of insulin release from pancreatic islets. Therefore, tissue-selective calcium agonists have the potential to combat cardiac failure and endocrinological disorders. They have been used primarily in experimental studies in cell and tissue culture.
Anwendungen
VerwendenAn active L-type, voltage-gated calcium channel agonist
Anbieter75 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
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