Methanone, [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)-
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Grundinformationen
- CAS
1332881-26-1- Standard-SMILES
COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc(OC)c1OC- InChIKey
WQGVHOVEXMOLOK-UHFFFAOYSA-N- Summenformel
- C21H19N3O4
- Durchschnittliche Molmasse
- 377,39 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Methanone, [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)-
- Englischer Name
- Methanone, [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)-
- Summenformel
- C21H19N3O4
- Molmasse
- 377.39
Namen und Synonyme
SabizabulinABI-231sabizabulin(VERU-111)Sabizabulin/VERU-111/ABI-231Sabizabulin (Synonyms: VERU-1112-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)-MethanoneMethanone, [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)-VERU-111 (1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
Datenbank-Bezeichner
- CAS
1332881-26-1- PubChem CID
- 53379371
- ChEMBL
CHEMBL2163631- UNII
- 37L1JX37J5
- EC Number
- 889-539-8
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 688.1 · 688.1±55.0 °C(Predicted)
- Dichte
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, away from moisture and light
- Löslichkeit
- Soluble in DMSO
- pka
- 10.82 · 10.82±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light yellow to yellow
- InChI
- InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)
- InChIKey
- WQGVHOVEXMOLOK-UHFFFAOYSA-N
- SMILES
- C(C1NC(C2C3=C(NC=2)C=CC=C3)=NC=1)(C1=CC(OC)=C(OC)C(OC)=C1)=O
Chemie und Industrie
Anwendungen
BeschreibungSabizabulin (VERU-111) is a potent, orally bioavailable, and well-tolerated microtubule inhibitor that Veru Inc. is currently developing. It can inhibit the growth of ovarian tumors and completely suppress tumor metastasis in vivo, with efficacy comparable to that of paclitaxel, the current first-line treatment for ovarian cancer. VERU-111 can block the polymerization of tubulin and is not a substrate for multi-drug resistance mechanisms.
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