O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine
Grundinformationen
- CAS
680622-70-2- Standard-SMILES
Nc1nc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)c2nc[nH]c2n1- InChIKey
AQFWAWXGBQPBIA-UHFFFAOYSA-N- Summenformel
- C15H13F3N6O2
- Durchschnittliche Molmasse
- 366,3 g/mol
- Monoisotopische Masse
- 366,10520816
Namen und Bezeichner
- Bevorzugter Name
- O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine
- IUPAC
- N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
- Englischer Name
- O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine
- Summenformel
- C15H13F3N6O2
- Molmasse
- 366.3
Namen und Synonyme
PIN1 inhibitor API-1680622-70-2O6-[4-(Trifluoroacetamidomethyl)benzyl]guanineCHEMBL5427982N-(4-(((2-Amino-1H-purin-6-yl)oxy)methyl)benzyl)-2,2,2-trifluoroacetamideAQFWAWXGBQPBIA-UHFFFAOYSA-NN-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamideorb1217737orb1307873SCHEMBL2775958SCHEMBL3425790SCHEMBL29795745
Weitere Namen anzeigen
PIN1 inhibitor API-1 ，S6893PIN1 inhibitor API-1, 10 mM in DMSON-[4-(2-Amino-9H-purin-6-yloxymethyl)-benzyl]-2,2,2-trifluoroacetamideAcetamide, N-[[4-[[(2-amino-1H-purin-6-yl)oxy]methyl]phenyl]methyl]-2,2,2-trifluoro-Inhibitor,MicroRNA,PIN1 inhibitor API 1,PIN1 inhibitor API-1,PIN1 inhibitor API1,inhibit,PIN-1 inhibitor API-1,miRNA
DTXSID40652683C15H13F3N6O2EX-A5656BDBM50618848MFCD09841373s6893AKOS030242660AKOS040742420
Datenbank-Bezeichner
- CAS
680622-70-2- PubChem CID
- 29987694
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 119 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 486
Physikochemische Eigenschaften
- Schmelzpunkt
- 211 · 211-213C
- Dichte
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.52 · 9.52±0.10(Predicted)
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
VerwendenO6-[4-(Trifluoroacetamidomethyl)benzyl]guanine (cas# 680622-70-2) is a specific Pin1 (peptidyl-prolyl cis-trans isomerase NIMA-interacting 1) inhibitor.
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