(4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)bicyclo(2.2.2)oct-1-yl)acetic Acid
Grundinformationen
- CAS
942999-61-3- Standard-SMILES
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1- InChIKey
VGPKUACRBMPJLF-UHFFFAOYSA-N- Summenformel
- C24H28N4O3
- Durchschnittliche Molmasse
- 420,5 g/mol
- Monoisotopische Masse
- 420,21614076
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- (4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)bicyclo(2.2.2)oct-1-yl)acetic Acid
- IUPAC
- 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-1-bicyclo[2.2.2]octanyl]acetic acid
- Englischer Name
- Bicyclo[2.2.2]octane-1-acetic acid, 4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-
- Summenformel
- C24H28N4O3
- Molmasse
- 420.5
Namen und Synonyme
(4-(4-(4-amino-7,7-dimethyl-7h-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)bicyclo(2.2.2)oct-1-yl)acetic acid{4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[2.2.2]oct-1-yl}acetic AcidADPOPBC-acetic acidRefChem:906090DGAT-1 inhibitor 2942999-61-3DGAT1 Inhibitor 22-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-1-bicyclo[2.2.2]octanyl]acetic acidCHEMBL473384orb1709887SCHEMBL2450536BDBM27950
Weitere Namen anzeigen
5-b][1DGAT1-IN-44-[4-(4-amino-74]oxazin-6-yl)phenyl]-7-dimethyl-7H-pyrimido[4DGAT-1 inhibitor 2, 10 mM in DMSOBicyclo[2.2.2]octane-1-acetic acidDGAT 1 inhibitor 2,DGAT1 inhibitor 24-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]Bicyclo[2.2.2]octane-1-acetic acid
DTXSID00583287VGPKUACRBMPJLF-UHFFFAOYSA-NEX-A10425MFCD11977738AKOS025149084CS-0982NCGC00378846-01Bicyclo[2.2.2]octane-1-acetic acid, 4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-
Datenbank-Bezeichner
- CAS
942999-61-3- PubChem CID
- 16202164
- DTXSID
DTXSID00583287- ChEMBL
CHEMBL473384
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 111 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 719
Physikochemische Eigenschaften
- Siedepunkt
- 625.1 · 625.1±55.0 °C(Predicted)
- Dichte
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 25 mg/mL · DMSO : 25 mg/mL (59.45 mM; Need ultrasonic)
- Aggregatzustand
- Powder
- pka
- 4.84 · 4.84±0.10(Predicted)
- Farbe
- Light yellow to yellow
Chemie und Industrie
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