Mcb-613
Grundinformationen
- CAS
1162656-22-5- Standard-SMILES
CCC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1- InChIKey
MMBSCBVEHMETSA-GDAWTGGTSA-N- Summenformel
- C20H20N2O
- Durchschnittliche Molmasse
- 304,4 g/mol
- Monoisotopische Masse
- 304,15756327
Überblick
MCB-613 is a cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells. It has a role as an antineoplastic agent and a steroid receptor coactivator stimulator. It is a member of pyridines, a cyclic ketone and an enone.
Namen und Bezeichner
- Bevorzugter Name
- Mcb-613
- IUPAC
- (2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
- Englischer Name
- MCB-613
- Summenformel
- C20H20N2O
- Molmasse
- 304.39
Namen und Synonyme
MCB-613CHEBI:90954RefChem:9253841162656-22-5296792-62-6(2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexan-1-one(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-oneCyclohexanone, 4-ethyl-2,6-bis(3-pyridinylmethylene)-, (2E,6E)-(E/Z)-MCB-6134-ethyl-2,6-bis(3-pyridinylmethylene)-cyclohexanone4-Ethyl-2,6-bis-pyridin-3-ylmethylene-cyclohexanone(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexan-1-one
Weitere Namen anzeigen
CS-2522MCB-613, 10 mM in DMSO(2E,6E)-4-Ethyl-2,6-bis(3-pyridinylmethylene)cyclohexanone
4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexanone(2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexanone(2E,6E)-4-ethyl-2,6-bis[(pyridin-3-yl)methylidene]cyclohexan-1-oneMCB 613MFCD01209975(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexanoneMLS000569467MCB613
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 42,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 440
Physikochemische Eigenschaften
- Siedepunkt
- 510.4 · 510.4±50.0 °C(Predicted)
- Dichte
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 2 O; · insoluble in H2O; ≥13.2 mg/mL in DMSO with gentle warming; ≥9.26 mg/mL in EtOH with ultrasonic
- Aggregatzustand
- solid
- pka
- 4.36 · 4.36±0.12(Predicted)
- Farbe
- Light yellow to yellow
- InChI
- InChI=1S/C20H20N2O/c1-2-15-9-18(11-16-5-3-7-21-13-16)20(23)19(10-15)12-17-6-4-8-22-14-17/h3-8,11-15H,2,9-10H2,1H3/b18-11+,19-12+
- InChIKey
- MMBSCBVEHMETSA-GDAWTGGTSA-N
- SMILES
- C1(=O)/C(=C/C2=CC=CN=C2)/CC(CC)C/C/1=C\C1=CC=CN=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
VerwendenMCB-613 is a stimulator of steroid receptor coativator (SRC).
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南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
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上海波以尔化工有限公司[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海喀露蓝科技有限公司
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