Michler's ketone

Details

• Internal ID: e551958d-084b-4b1b-87af-84380bf640c0
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzophenones
• IUPAC Name: bis[4-(dimethylamino)phenyl]methanone
• SMILES (Canonical): CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C
• SMILES (Isomeric): CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C
• InChI: InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
• InChI Key: VVBLNCFGVYUYGU-UHFFFAOYSA-N
• Popularity: 144 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₀N₂O
• Molecular Weight: 268.35 g/mol
• Exact Mass: 268.157563266 g/mol
• Topological Polar Surface Area (TPSA): 23.60 Ų
• XlogP: 3.90

Synonyms

• 90-94-8
• 4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE
• Bis(4-(dimethylamino)phenyl)methanone
• bis[4-(dimethylamino)phenyl]methanone
• Michler ketone
• p,p'-Michler's ketone
• Michlers ketone
• NCI-C02006
• Tetramethyldiaminobenzophenone
• Methanone, bis[4-(dimethylamino)phenyl]-
• p,p'-Bis(dimethylamino)benzophenone
• Michlers Keton
• Benzophenone, 4,4'-bis(dimethylamino)-
• 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline
• NSC 9602
• CCRIS 412
• N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone
• p,p'-Bis(N,N-dimethylamino)benzophenone
• HSDB 2865
• EINECS 202-027-5
• Michler's ketone, 98%
• Bis(p-(N,N-dimethylamino)phenyl)ketone
• Bis(p-(N,N-dimethylamino)phenyl) ketone
• UNII-3Z2SN6B347
• AI3-22412
• DTXSID2020894
• CHEBI:82347
• NSC9602
• 3Z2SN6B347
• NSC-9602
• Bis-(4-dimethylamino-phenyl)-methanone
• 4,4'-bis(N,N-dimethylamino)benzophenone
• Bis[p-(N,N-dimethylamino)phenyl] ketone
• Methanone, bis(4-(dimethylamino)phenyl)-
• DTXCID80894
• CAS-90-94-8
• MFCD00008312
• Michler`s ketone
• cetona de michler
• Centone de Michler
• bis(4-dimethylaminophenyl)methanone
• Michler/'S ketone
• Chetone di Micheler
• Oprea1_244376
• SCHEMBL36517
• MLS000521340
• CHEMBL15137
• p,N-dimethylamino)benzophenone
• di-p-dimethylaminophenyl ketone
• MICHLER'S KETONE [MI]
• (Tetramethyldiamino)benzophenone
• di-p-dimethylaminophenyl ketone
• 4,4'-bisdimethylaminobenzophenone
• WLN: 1N1&R D- 2V
• HMS2464F09
• p,p'-Tetramethyldiaminobenzophenone
• 4,4'-bis-dimethylaminobenzophenone
• 4,4'-di(Dimethylamino)benzophenone
• 4,4'-tetramethyldiaminobenzophenone
• 4,4'-bis(dimethylamine)benzophenone
• Tox21_202416
• Tox21_300279
• 4,4[-Bis(dimethylamino)benzophenone
• Benzophenone,4'-bis(dimethylamino)-
• STK366752
• 4,4'- bis(dimethylamino)benzophenone
• 4,4'-bis(dimethylamino)-benzophenone
• (4,4'-Tetramethyldiamino)benzophenone
• 4,4/'-Bis(dimethylamino)benzophenone
• 4,4\'-Bis(dimethylamino)benzophenone
• AKOS000118727
• p,p' - Bis(dimethylamino)benzophenone
• bis[4-(Dimethylamino)phenyl]-methanone
• CCG-202851
• CS-W021001
• LS-1914
• NCGC00164065-01
• NCGC00164065-02
• NCGC00164065-03
• NCGC00254018-01
• NCGC00259965-01
• SMR000131748
• Metanona, bis [4-(dimetilamino) fenil]-
• B0481
• EU-0033215
• FT-0628941
• EN300-19184
• C19266
• F21239
• N,N',N'-Tetramethyl-4,4'-diaminobenzophenone
• AE-641/00375021
• Q418109
• SR-01000596911
• 4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE [HSDB]
• SR-01000596911-1
• W-100322
• 4,4'-bis(dimethylamino)benzophenone; Michler's ketone
• MICHLERS KETONE (TETRAMETHYLDIAMINOBENZOPHENONE)
• F0722-8838
• Michler's ketone [4,4'-bis(dimethylamino)benzophenone]
• Michler's ketone; (4,4'-bis(dimethylamino)benzophenone)
• Z104473070
• Michler's ketone, certified reference material, TraceCERT(R)
• InChI=1/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	28183.8 nM	Potency	via CMAUP
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	28183.8 nM	Potency	via CMAUP
CHEMBL1293224	P10636	Microtubule-associated protein tau	35481.3 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.61%	96.09%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	85.47%	87.67%
CHEMBL2581	P07339	Cathepsin D	84.07%	98.95%
CHEMBL4208	P20618	Proteasome component C5	82.37%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	82.21%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.76%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.56%	86.33%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	80.33%	81.11%

Plants that contains it

• Phellodendron amurense
• Phellodendron chinense

Cross-Links

• PubChem: 7031
• NPASS: NPC226143
• ChEMBL: CHEMBL15137
• LOTUS: LTS0090388
• wikiData: Q418109