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MedKoo Cat#: 407107 | Name: SGC-0946
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

SGC-0946 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, SGC-0946 potently reduces H3K79 dimethylation with cellular IC50 of 2.6nM in A431 cells, and 8.8nM in MCF10A cells.

Chemical Structure

SGC-0946
CAS#1561178-17-3

Theoretical Analysis

MedKoo Cat#: 407107

Name: SGC-0946

CAS#: 1561178-17-3

Chemical Formula: C28H40BrN7O4

Exact Mass: 617.2325

Molecular Weight: 618.58

Elemental Analysis: C, 54.37; H, 6.52; Br, 12.92; N, 15.85; O, 10.35

Price and Availability

Size Price Availability Quantity
5mg USD 150.00 Ready to ship
10mg USD 250.00 Ready to ship
25mg USD 450.00 Ready to ship
50mg USD 750.00 Ready to ship
100mg USD 1,250.00 Ready to ship
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Related CAS #
No Data
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
More Info
Biological target:
SGC-0946 is a highly potent and selective DOT1L methyltransferase inhibitor with IC50 of 0.3 nM.
In vitro activity:
SGC-0946 treatment led to reduction in H3K79me2 72 hours posttreatment and more significantly 7 days post-treatment. SGC-0946 reduced the expression of the DOT1L and N-Myc target gene E2F2 and dose-dependently reduced BE(2)-C and Kelly cells' proliferation. In contrast, treatment with SGC-0946 did not reduce E2F2 gene expression and did not have an effect on cell proliferation in MYCN gene nonamplified NBL-S and SK-N-FI neuroblastoma cells. Reference: Cancer Res. 2017 May 1;77(9):2522-2533. https://pubmed.ncbi.nlm.nih.gov/28209620/
In vivo activity:
O. moubata, a type of tick, larvae exposed to SGC-0946 displayed high mortality during molting to first-stage nymphs. However artificial blood feeding supplemented with SGC-0946 did not affect survival and reproductive performance of adult female ticks. Reference: Vaccines (Basel). 2020 Apr 1;8(2):157. https://pubmed.ncbi.nlm.nih.gov/32244625/
Solvent mg/mL mM comments
Solubility
DMSO 55.5 89.67
DMF 10.0 16.17
Ethanol 57.3 92.61
Ethanol:PBS (pH 7.2) (1:4) 0.2 0.32
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
Formulation protocol:
1. Wong M, Tee AEL, Milazzo G, Bell JL, Poulos RC, Atmadibrata B, Sun Y, Jing D, Ho N, Ling D, Liu PY, Zhang XD, Hüttelmaier S, Wong JWH, Wang J, Polly P, Perini G, Scarlett CJ, Liu T. The Histone Methyltransferase DOT1L Promotes Neuroblastoma by Regulating Gene Transcription. Cancer Res. 2017 May 1;77(9):2522-2533. doi: 10.1158/0008-5472.CAN-16-1663. Epub 2017 Feb 16. PMID: 28209620. 2. Yu W, Chory EJ, Wernimont AK, Tempel W, Scopton A, Federation A, Marineau JJ, Qi J, Barsyte-Lovejoy D, Yi J, Marcellus R, Iacob RE, Engen JR, Griffin C, Aman A, Wienholds E, Li F, Pineda J, Estiu G, Shatseva T, Hajian T, Al-Awar R, Dick JE, Vedadi M, Brown PJ, Arrowsmith CH, Bradner JE, Schapira M. Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun. 2012;3:1288. doi: 10.1038/ncomms2304. Erratum in: Nat Commun. 2013;4:1893. PMID: 23250418. 3. Chava S, Bugide S, Edwards YJK, Gupta R. Disruptor of telomeric silencing 1-like promotes ovarian cancer tumor growth by stimulating pro-tumorigenic metabolic pathways and blocking apoptosis. Oncogenesis. 2021 Jul 12;10(7):48. doi: 10.1038/s41389-021-00339-6. PMID: 34253709; PMCID: PMC8275629. 4. Gobl J, Kumar Sinha D, Sima R, Perner J, Kopáček P, Valdés JJ, Rego ROM, Cabezas-Cruz A. Histone Methyltransferase DOT1L is Involved in Larval Molting and Second Stage Nymphal Feeding in Ornithodoros Moubata. Vaccines (Basel). 2020 Apr 1;8(2):157. doi: 10.3390/vaccines8020157. PMID: 32244625; PMCID: PMC7349889.
In vitro protocol:
1. Wong M, Tee AEL, Milazzo G, Bell JL, Poulos RC, Atmadibrata B, Sun Y, Jing D, Ho N, Ling D, Liu PY, Zhang XD, Hüttelmaier S, Wong JWH, Wang J, Polly P, Perini G, Scarlett CJ, Liu T. The Histone Methyltransferase DOT1L Promotes Neuroblastoma by Regulating Gene Transcription. Cancer Res. 2017 May 1;77(9):2522-2533. doi: 10.1158/0008-5472.CAN-16-1663. Epub 2017 Feb 16. PMID: 28209620. 2. Yu W, Chory EJ, Wernimont AK, Tempel W, Scopton A, Federation A, Marineau JJ, Qi J, Barsyte-Lovejoy D, Yi J, Marcellus R, Iacob RE, Engen JR, Griffin C, Aman A, Wienholds E, Li F, Pineda J, Estiu G, Shatseva T, Hajian T, Al-Awar R, Dick JE, Vedadi M, Brown PJ, Arrowsmith CH, Bradner JE, Schapira M. Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun. 2012;3:1288. doi: 10.1038/ncomms2304. Erratum in: Nat Commun. 2013;4:1893. PMID: 23250418.
In vivo protocol:
1. Chava S, Bugide S, Edwards YJK, Gupta R. Disruptor of telomeric silencing 1-like promotes ovarian cancer tumor growth by stimulating pro-tumorigenic metabolic pathways and blocking apoptosis. Oncogenesis. 2021 Jul 12;10(7):48. doi: 10.1038/s41389-021-00339-6. PMID: 34253709; PMCID: PMC8275629. 2. Gobl J, Kumar Sinha D, Sima R, Perner J, Kopáček P, Valdés JJ, Rego ROM, Cabezas-Cruz A. Histone Methyltransferase DOT1L is Involved in Larval Molting and Second Stage Nymphal Feeding in Ornithodoros Moubata. Vaccines (Basel). 2020 Apr 1;8(2):157. doi: 10.3390/vaccines8020157. PMID: 32244625; PMCID: PMC7349889.
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)