SGC0946

SIGMA/SML1107 - ≥98% (HPLC)

Synonym: 1-(3-((((2R,3S,4R,5R)-5-(4-Amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea; 5-Bromo-7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-beta-D-7H-Pyrrolo[2,3-d]pyrimidin-4-amine

CAS Number: 1561178-17-3
Empirical Formula (Hill Notation): C₂₈H₄₀BrN₇O₄
Molecular Weight: 618.57
MDL Number: MFCD26523136
Linear Formula: C₂₈H₄₀BrN₇O₄
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-SML1107-5MG	5 mg	$154.00 1/EA	Add To Favorites
45-SML1107-25MG	25 mg	$462.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
color	white to beige
form	powder
InChI	1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1
InChI key	IQCKJUKAQJINMK-HUBRGWSESA-N
Quality Level	100
SMILES string	BrC1=CN([C@@H]2O[C@H](CN(CCCNC(NC3=CC=C(C(C)(C)C)C=C3)=O)C(C)C)[C@@H](O)[C@H]2O)C4=C1C(N)=NC=N4
solubility	DMSO: 20 mg/mL, clear
storage temp.	−20°C

Biochem/physiol Actions:	SGC0946 is a potent and selective inhibitor of Histone H3-lysine79 (H3K79) methyltransferase DOT1L with an IC50 of 0.3 nM in a radioactive enzyme assay, and over 100-fold selectivity for DOT1L over other histone methyltransferases. In cell studies, SGC0946 reduces H3K79 dimethylation with an IC₅₀ of 2.6 nM in A431 cells and 8.8 nM in MCF10A cells. SGC0946 was found to selectively kills cells transformed with the MLL-AF9 fusion oncogene in an in vitro model of leukemia. For full characterization details, please visit the SGC0946 probe summary on the Structural Genomics Consortium (SGC) website. SGC0649 is the negative control for the active probe, SGC0946. To request a sample of the negative control from the SGC, click here . To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc
Features and Benefits:	SGC0946 is an epigenetic chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC epigenetic probes, visit sigma.com/SGC .
Features and Benefits:	This compound is a featured product for Gene Regulation research. Click here to discover more featured Gene Regulation products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm .
Other Notes:	SGC0946 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the SGC0946 probe summary on the Chemical Probes Portal website.
Packaging:	5, 25 mg in glass bottle

Symbol	GHS06
Signal word	Danger
Hazard statements	H301
Precautionary statements	P301 + P310
Hazard Codes	T
Risk Statements	25
Safety Statements	45
RIDADR	UN 2811 6.1 / PGIII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
Storage Temp.	−20°C
UNSPSC	12352200

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