ChemicalBook--->CAS DataBase List--->896705-16-1

896705-16-1

896705-16-1 Structure

896705-16-1 Structure
IdentificationBack Directory
[Name]

BMH21
[CAS]

896705-16-1
[Synonyms]

BMH21
CS-1749
BMH 21;BMH21
BMH-21, >98%
BMH21 USP/EP/BP
N-[2-(Dimethylamino)ethyl]-12-oxo-5,13-diazatetracene-4-carboxamide
N-[2-(Dimethylamino)ethyl]-12-oxo-2H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
N-[2-(dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
12H-Benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide, N-[2-(dimethylamino)ethyl]-12-oxo-
BMH-21 N-[2-(Dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
[EINECS(EC#)]

809-833-1
[Molecular Formula]

C21H20N4O2
[MDL Number]

MFCD27225377
[MOL File]

896705-16-1.mol
[Molecular Weight]

360.41
Chemical PropertiesBack Directory
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble1mg/mL, clear (warmed)
[form ]

powder
[pka]

7.90±0.20(Predicted)
[color ]

light yellow to dark yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
Hazard InformationBack Directory
[Uses]

BMH-21 has been used in cell culture.
[General Description]

BMH-21 is a planar heterocyclic small molecule DNA intercalator.
[Biochem/physiol Actions]

BMH-21 is a potent inhibitor of RNA Pol I. BMH-21 binds strongly to GC-rich DNA sequences, ultimately inhibiting RNA Pol I, blocking transcription and disrupting the nucleolar structure. BMH-1 causes dissociation of the RPA194 catalytic subunit from Pol I, and disassembly of Pol I:DNA complexes. The compound BMH-21 inhibits proliferation of a broad range of tumor cell lines.
[Synthesis]

N,N-Dimethylethylenediamine

108-00-9

12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxylic acid

63127-04-8

BMH21

896705-16-1

Method A: Synthesis of amide analogs (4). Synthesis of N-[2-(dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide. 12-Oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxylic acid (50 mg, 0.17 mmol) and TBTU (82.9 mg, 0.26 mmol) were dissolved in DMF (1 mL) and DbEA (90 μL, 0.52 mmol) was added. After stirring for 15 min at room temperature, N,N-dimethylethylenediamine (28.4 μL, 0.26 mmol) was added and stirring was continued for 16 hours. The reaction mixture was poured into 100 mL of cold water with stirring, and the solid was collected by filtration and dried under vacuum to afford the target product N-[2-(dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (36 mg, 0.10 mmol, 58.0% yield) as a yellow solid.1H NMR (400 MHz , DMSO-d6) δ ppm 11.50 (br.s, 1H), 9.10 (s, 1H), 8.91 (d, J=5.81 Hz, 1H), 8.55 (d, J=5.56 Hz, 1H), 8.28-8.34 (m, 2H), 8.12 (d, J=8.34 Hz, 1H), 7.73 (t, J=7.45 Hz , 1H), 7.61 (t, J=7.33 Hz, 1H), 7.05 (t, J=7.07 Hz, 1H), 3.56 (d, J=5.05 Hz, 2H), 2.59 (t, J=5.94 Hz, 2H), 2.40 (s, 6H).1H NMR (400 MHz, CDCl3) δ ppm 11.70 (br.s. 1H), 9.10 (s, 1H), 8.94 (dd, J=7.33,1.77 Hz, 1H), 8.73 (dd, J=6.82,1.77 Hz, 1H), 8.29 (s, 1H), 8.12 (d, J=8.59 Hz, 1H), 8.00 (d, J=8.34 Hz, 1H), 7.66 (t, J= 7.58 Hz, 1H), 7.52-7.60 (m, 1H), 6.89 (t, J=7.07 Hz, 1H), 3.66-3.77 (m, 2H), 2.71 (t, J=6.06 Hz, 2H), 2.49 (s, 6H). ms [M+1]=361.

[in vivo]

BMH-21 (50 mg/kg; i.p.; daily; for 6 days) inhibits HCT116 colon cancer tumor growth in vivo[2].

Animal Model:6-week old athymic NCr nu/nu mice, with HCT116 colorectal carcinoma xenograft[2]
Dosage:50 mg/kg
Administration:Intraperitoneal injection, daily, for 6 days
Result:Significantly inhibited HCT116 colon cancer tumor growth.
[storage]

Store at -20°C
[References]

[1] Journal of Medicinal Chemistry, 2014, vol. 57, # 11, p. 4950 - 4961
[2] Patent: WO2015/143293, 2015, A1. Location in patent: Paragraph 0084
Spectrum DetailBack Directory
[Spectrum Detail]

BMH21(896705-16-1)1HNMR
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