Tris DBA

Inquiry

Molecular Formula:

C51H42O3Pd2

Molecular Weight:

915.73

CAS Number:

51364-51-3

Catalog Number:

51364-51-3

Product Information

Molecular Formula:

C51H42O3Pd2

Molecular Weight:

915.73

Description

Tris DBA has been found to be a N-myristoyltransferase-1 (NMT-1) inhibitor and could be used as a cyclization catalyst.

Synonyms

Tris(dibenzylideneacetone)dipalladium; 1,4-Pentadien-3-one, 1,5-diphenyl-, palladium complex, (E,E)-; Palladium, tris[μ-[(1,2-η:4,5-η)-1,5-diphenyl-1,4-pentadien-3-one]]di-, (all-E)-; Tris[μ-[(1,2-η:4,5-η)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]dipalladium; Pd2(DBA)3; Tris(dibenzylideneacetone)dipalladium; Tris(dibenzylideneacetonyl)bis-palladium; Tris[(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]dipalladium; Tris[dibenzylideneacetone]dipalladium (DBA palladium); tris[μ-[(1,2-η:4,5-η)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]dipalladium [Pd2(dba)3]; Palladium, tris[μ-[(1,2-η:4,5-η)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]di-

IUPAC Name

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-onepalladium

Canonical SMILES

O=C1[CH]2=[CH](C=3C=CC=CC3)[Pd]4562[CH](C=7C=CC=CC7)=[CH]6C(=O)[CH]8=[CH](C=9C=CC=CC9)[Pd]%10%118([CH](C=%12C=CC=CC%12)=[CH]1%10)[CH](C=%13C=CC=CC%13)=[CH]%11C(=O)[CH]5=[CH]4C=%14C=CC=CC%14

InChI

InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;

InChI Key

CYPYTURSJDMMMP-UHFFFAOYSA-N

Melting Point

120-122°C

Flash Point

Not applicable

Purity

≥95% by HPLC

Solubility

Soluble in Chloroform (Sparingly, Sonicated), DMSO (Slightly, Sonicated), Methanol (Slightly)

Appearance

Dark Red Solid

Storage

Store at 2-8°C under inert atmosphere

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

916.12077 g/mol

Monoisotopic Mass

914.12036 g/mol

Topological Polar Surface Area

51.2Å²

Heavy Atom Count

Formal Charge

Complexity

272

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-9434812-B2	Dyketopyrrolopyrrole polymers for use in organic semiconductor devices	2010-05-19
US-2013096119-A1	Isoquinolin-3-Ylurea Derivatives	2010-03-31
US-2009221820-A1	Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof	2007-12-12
US-7858784-B2	Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof	2007-12-12
US-2012059170-A1	Thiophene analogues for the treatment or prevention of flavivirus infections	2006-11-15
US-2012301430-A1	Thiophene analogues for the treatment or prevention of flavivirus infections	2006-11-15
US-8269014-B2	Thiophene analogues for the treatment or prevention of flavivirus infections	2006-11-15
US-8658674-B2	Thiophene analogues for the treatment or prevention of flavivirus infections	2006-11-15
US-2004170547-A1	Process for removing metals from liquids	2002-12-03
US-7300639-B2	Process for removing metals from liquids	2002-12-03

Literatures

PMID	Publication Date	Title	Journal
19621889	2009-08-21	Generation of N-(tert-butoxycarbonyl)indole-2,3-quinodimethane and its [4+2]-type cycloaddition	The Journal of organic chemistry
18794083	2008-09-15	Tris (dibenzylideneacetone) dipalladium, a N-myristoyltransferase-1 inhibitor, is effective against melanoma growth in vitro and in vivo	Clinical cancer research : an official journal of the American Association for Cancer Research
11953808	2002-05-01	Microbial diversity and activity along the forefields of two receding glaciers	Microbial ecology

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