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906440-37-7

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906440-37-7 Structure

906440-37-7 Structure
IdentificationBack Directory
[Name]

2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol
[CAS]

906440-37-7
[Synonyms]

SMBA 1
SMBA1 >=98% (HPLC)
2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol
Phenol, 2-[(2-nitro-9H-fluoren-9-ylidene)methyl]-
[Molecular Formula]

C20H13NO3
[MDL Number]

MFCD29079013
[MOL File]

906440-37-7.mol
[Molecular Weight]

315.32
Chemical PropertiesBack Directory
[Boiling point ]

502.0±38.0 °C(Predicted)
[density ]

1.392±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

powder
[pka]

9.22±0.30(Predicted)
[color ]

white to beige
[InChI]

1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11+
[InChIKey]

PEYKRJBXACUOOB-WOJGMQOQSA-N
[SMILES]

OC(C=CC=C1)=C1/C=C2C(C=CC=C3)=C3C4=C\2C=C([N+]([O-])=O)C=C4
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

SMBA 1 is a small molecule Bax agonist.
[Biological Activity]

SMBA1 is an anti-tumor agent. It exhibits anti-proliferative effects against glioblastoma (GBM) cells.''Small-molecule Bax agonists 1 (SMBA1) is a potent and selective Bax agonist th at binds to Baxinduces conformational change which blocks Bax S184 phosphorylation. SMBA1 induces apoptosis in cancer cells and suppresses lung tumor growth in vivo without significant normal tissue toxicity. SMBA1 does not bind to other B-cell lymphoma 2 (Bcl-2) family members.
[in vivo]

SMBA1 (2, 10, 40, 60 mg/kg; i.p.; once daily for 10 days) shows anti-tumor activity in mouse[1].

Animal Model:6-week-old male Nu/Nu mice (A549 lung cancer xenografts)[1]
Dosage:2, 10, 40, 60 mg/kg
Administration:I.p.; once daily for 10 days
Result:Supressed the tumor volume and increased levels of active caspase 3.
[IC 50]

Bax: 43.3 nM (Ki)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol(906440-37-7)1HNMR
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