Bms493
Grundinformationen
- CAS
215030-90-3- Standard-SMILES
CC1(C)CC=C(C#Cc2ccccc2)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21- InChIKey
YCADIXLLWMXYKW-CMDGGOBGSA-N- Summenformel
- C29H24O2
- Durchschnittliche Molmasse
- 404,5 g/mol
- Monoisotopische Masse
- 404,17763
Überblick
BMS-493 is a member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenylethynyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It has a role as a retinoic acid receptor antagonist. It is a member of benzoic acids, a stilbenoid, an acetylenic compound and a member of dihydronaphthalenes.
Namen und Bezeichner
- Bevorzugter Name
- Bms493
- IUPAC
- 4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid
- Englischer Name
- 4-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]benzoicacid
- Summenformel
- C29H24O2
- Molmasse
- 404.5
Namen und Synonyme
BMS 493BMS493BMS-493CHEBI:1320864-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl]benzoic acid4-((E)-2-(5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl)ethenyl)benzoic acidRefChem:120782215030-90-34-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]benzoic acid4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acidCHEMBL472172(E)-4-(2-(5,5-Dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl)vinyl)benzoic acid
Weitere Namen anzeigen
BMS204, 493BMS493,BMS-4934-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]benzoicacid4-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(phenylethynyl)-2-naphthalenyl]ethenyl]-benzoic acid(E)-4-[2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)naphthalen-2-yl]ethen-1-yl]benzoic acidBenzoic acid, 4-[(1E)-2-[5,6-dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,2
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 759
Physikochemische Eigenschaften
- Siedepunkt
- 605.4 · 605.4±55.0 °C(Predicted)
- Dichte
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 20 mg/mL · DMSO: ≥20mg/mL
- Aggregatzustand
- powder
- pka
- 4.27 · 4.27±0.10(Predicted)
- Farbe
- light yellow to yellow
- InChI
- 1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
- InChIKey
- YCADIXLLWMXYKW-CMDGGOBGSA-N
- SMILES
- CC1(C)CC=C(C#Cc2ccccc2)c3cc(\C=C\c4ccc(cc4)C(O)=O)ccc13
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
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungNuclear retinoic acid receptors (RARs) are transcriptional regulators with roles in cell proliferation and differentiation. BMS 493 is a pan-RAR inverse agonist that blocks RARα activity with an IC50 value of 114 nM. In all RAR types (RARα, RARβ, and RARγ), BMS493 prevents the recruitment of transcriptional coactivators to RARs while stabilizing corepressor interactions. BMS 493 has been used to elucidate the critical roles of RARs in development and immune response.
VerwendenBMS 493 has been used:as an inhibitor for the dietary and pharmacologic manipulation of retinoic acid (RA) activity in vivo and in vitrofor human induced pluripotent stem cells (iPSCs) culture and ventricular cardiomyocytes (VCMs) differentiationto inhibit retinoic acid (RA) signaling in explantsas a retinoic acid receptor (RAR) inhibitor for the induction of synaptonemal complex protein 3 (SCP3) and ATP-dependent RNA helicase (DDX4) in primordial germ cells (PGCs)
Anbieter28 Anbieter
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司
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