InterPAD - DETAILS

DMAPT, 870677-05-7, Dimethylamino Parthenolide, (S)-DMAPT, UNII-U41S5CG0SG, U41S5CG0SG, LC-1, NSC-734325, Dimethylaminoparthenolide, (1S,2R,4R,7Z,11S,12S)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one, (1aR,4E,7aS,8S,10aS,10bR)-8-((Dimethylamino)methyl)-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyloxireno(9,10)cyclodeca(1,2-b)furan-9(1ah)-one, Oxireno(9,10)cyclodeca(1,2-b)furan-9(1ah)-one, 8-((dimethylamino)methyl)-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-, (1aR,4E,7aS,8S,10aS,10bR)-, SCHEMBL25757831, HY-16172A, AT33741, BD162719, HY-16172, MS-24203, CS-0006176, CS-0783959, (1S,2R,4R,7Z,11S,12S)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0?,?]tetradec-7-en-13-one

No.	Title	Href
1	Identification of a synergistic combination of dimethylaminoparthenolide and shikonin alters metabolism and inhibits proliferation of pediatric precursor-B cell acute lymphoblastic leukemia. Mol Carcinog. 2020 Apr;59(4):399-411. doi: 10.1002/mc.23163.	`Click`

No.

Title

Href

Identification of a synergistic combination of dimethylaminoparthenolide and shikonin alters metabolism and inhibits proliferation of pediatric precursor-B cell acute lymphoblastic leukemia. Mol Carcinog. 2020 Apr;59(4):399-411. doi: 10.1002/mc.23163.

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Name	Dimethylaminoparthenolide
PubChem CID	129395999
Molecular Weight	293.4g/mol
Synonyms	DMAPT, 870677-05-7, Dimethylamino Parthenolide, (S)-DMAPT, UNII-U41S5CG0SG, U41S5CG0SG, LC-1, NSC-734325, Dimethylaminoparthenolide, (1S,2R,4R,7Z,11S,12S)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one, (1aR,4E,7aS,8S,10aS,10bR)-8-((Dimethylamino)methyl)-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyloxireno(9,10)cyclodeca(1,2-b)furan-9(1ah)-one, Oxireno(9,10)cyclodeca(1,2-b)furan-9(1ah)-one, 8-((dimethylamino)methyl)-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-, (1aR,4E,7aS,8S,10aS,10bR)-, SCHEMBL25757831, HY-16172A, AT33741, BD162719, HY-16172, MS-24203, CS-0006176, CS-0783959, (1S,2R,4R,7Z,11S,12S)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0?,?]tetradec-7-en-13-one
Drug Type	Small molecule
Formula	C₁₇H₂₇NO₃
SMILES	CC1=CCCC2(C(O2)C3C(CC1)C(C(=O)O3)CN(C)C)C
InChI	1S/C17H27NO3/c1-11-6-5-9-17(2)15(21-17)14-12(8-7-11)13(10-18(3)4)16(19)20-14/h6,12-15H,5,7-10H2,1-4H3/b11-6-/t12-,13+,14-,15+,17+/m0/s1
InChIKey	UJNSFDHVIBGEJZ-CMRIBGNTSA-N
CAS Number	870677-05-7
Toxicity	Organism	Test Type	Route(Dose)
Structure			Download 2D MOL 3D MOL

Pair Name	Shikonin, Dimethylaminoparthenolide
Partner Name	Shikonin
Disease Info	[ICD-11: 2B33.3]	Acute lymphoblastic leukemia		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	FN1	hsa2335
In Vitro Model	Kasumi-2	Childhood B acute lymphoblastic leukemia	Homo sapiens (Human)	CVCL_0590
	KOPN-8	Childhood B acute lymphoblastic leukemia	Homo sapiens (Human)	CVCL_1866
	NALM-6	Adult B acute lymphoblastic leukemia	Homo sapiens (Human)	CVCL_0092
	RCH-ACV	Childhood B acute lymphoblastic leukemia	Homo sapiens (Human)	CVCL_1851
	Reh	Childhood B acute lymphoblastic leukemia	Homo sapiens (Human)	CVCL_1650
Result	This approach demonstrates that a synergistic pair of compounds with malignant cell specificity can effectively target metabolic pathways crucial to leukemia cell proliferation and induce apoptosis.