WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407107
CAS#: 1561178-17-3
Description: SGC0946 is a potent and selective inhibitor of DOT1L, which potently and selectively kills cells containing an MLL translocation. SGC0946 inhibits DOT1L with an IC50 of 0.3nM in a radioactive enzyme assay and is over 100-fold selective for other HMTs. In addition, SGC0946 potently reduces H3K79 dimethylation with cellular IC50 of 2.6nM in A431 cells, and 8.8nM in MCF10A cells.
MedKoo Cat#: 407107
Name: SGC-0946
CAS#: 1561178-17-3
Chemical Formula: C28H40BrN7O4
Exact Mass: 617.23252
Molecular Weight: 618.58
Elemental Analysis: C, 54.37; H, 6.52; Br, 12.92; N, 15.85; O, 10.35
Synonym: SGC-0946; SGC 0946; SGC0946.
IUPAC/Chemical Name: 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-isobutylphenyl)urea
InChi Key: UZLAJVZJBSZSJL-VBHAUSMQSA-N
InChi Code: InChI=1S/C28H40BrN7O4/c1-16(2)12-18-6-8-19(9-7-18)34-28(39)31-10-5-11-35(17(3)4)14-21-23(37)24(38)27(40-21)36-13-20(29)22-25(30)32-15-33-26(22)36/h6-9,13,15-17,21,23-24,27,37-38H,5,10-12,14H2,1-4H3,(H2,30,32,33)(H2,31,34,39)/t21-,23-,24-,27-/m1/s1
SMILES Code: O=C(NC1=CC=C(CC(C)C)C=C1)NCCCN(C[C@H]2O[C@@H](N3C=C(Br)C4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)C(C)C
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 618.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Wenyu Yu, Emma J. Chory, Amy K. Wernimont, Wolfram Tempel, Alex Scopton, Alexander Federation, Jason J. Marineau, Jun Qi, Dalia Barsyte-Lovejoy, Joanna Yi, Richard Marcellus, Roxana E. Iacob, John R. Engen, Erno Wienholds, Fengling Li, Javier Pineda, Guillermina Estiu, Tatiana Shatseva, Taraneh Hajian, Rima Al-awar, John E. Dick, Masoud Vedadi, Peter J. Brown, Cheryl H. Arrowsmith*, James E. Bradner*, Matthieu Schapira*. Nature Communications 3 : 1288doi:10.1038/ncomms2304 (2012)
