AR-C155858
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Grundinformationen
- CAS
496791-37-8- Standard-SMILES
Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C- InChIKey
ISIVOJWVBJIOFM-ZDUSSCGKSA-N- Summenformel
- C21H27N5O5S
- Durchschnittliche Molmasse
- 461,544 g/mol
- Monoisotopische Masse
- 461,17328996
Namen und Bezeichner
- Bevorzugter Name
- AR-C155858
- IUPAC
- 6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- Englischer Name
- (S)-6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4-hydroxyisoxazolidin-2-yl)carbonyl]-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- Summenformel
- C21H27N5O5S
- Molmasse
- 461.53
Namen und Synonyme
AR C15585AR-C 155858AR-C155858 ，S7919AR-C155858AR C155858AR-C 155858AR C15585AR-C155858, 10 mM in DMSOMonocarboxylate Transport Inhibitor, AR-C155858inhibit,AR-C155858,Inhibitor,Monocarboxylate Transporter,AR-C-155858,ARC155858,AR C155858(S)-6-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)-5-(4-hydroxyisoxazolidine-2-carbonyl)-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione(S)-6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4-hydroxyisoxazolidin-2-yl)carbonyl]-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Datenbank-Bezeichner
- CAS
496791-37-8- PubChem CID
- 10226546
- DTXSID
DTXSID70436993- ChEMBL
CHEMBL375166- ChEBI
CHEBI:234387- EC Number
- 838-913-9
- Nikkaji
- J2.810.168F
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 198 · 198-202∶C
- Siedepunkt
- 763.1 · 763.1±70.0 °C(Predicted)
- Dichte
- 1.395 · 1.395
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 2 O; · insoluble in H2O; ≥52.5 mg/mL in DMSO; ≥57.8 mg/mL in EtOH
- Aggregatzustand
- solid
- pka
- 13.53 · 13.53±0.20(Predicted)
- Farbe
- White
- InChI
- 1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
- InChIKey
- ISIVOJWVBJIOFM-ZDUSSCGKSA-N
- SMILES
- [s]1c2[n]([c]([n]([c](c2c(c1Cc4c([nH]nc4C)C)C(=O)N3OC[C@H](C3)O)=O)C)=O)CC(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenAR-C155858 is a potent inhibitor of monocarboxylate transporters MCT1 and MCT2 that binds to an intracellular site involving transmembrane helices 7-10.
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