(2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
- CAS NO.:1380288-87-8
- Empirical Formula: C30H42N8O3
- Molecular Weight: 562.71
- MDL number: MFCD24849416
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-02 08:55:08
What is (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol?
The Uses of (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
9-[5-Deoxy-5-[[cis-3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methylethyl)amino]-β-D-ribofuranosyl]-9H-purin-6-amine, can be used as an adenosine anticancer, and antibiotic analogues.
Definition
ChEBI: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol is a 5'-deoxyribonucleoside.
Biological Activity
epz5676 is a potent inhibitor of dot1l histone methyltransferase, according to x-ray crystallographic analysis, that occupies the s-adenosyl methionine (sam) binding pocket of dot1l and induces conformational changes in dot1l resulting in the opening of a hydrophobic pocket beyond the amino acid portion of sam. epz5676 selectively inhibits dotil with a value of 50% inhibition concentration ic50 of 0.8 nm, which is 37000-fold greater in selectivity than other methyltransferases, including carm1, ehmt1/2, ezh1/2, prmt1/2/5/6/8, setd7, smyd2/3, and whsc1/1l1. epz5676 has been investigated for the treatment of mll-rearranged leukemia in multiple studies where results have shown that epz5676 inhibits h3k79 methylation and the expression of mll-fusion target gene and potently kills acute leukemia cell lines bearing mll translocation.daigle sr, olhava ej, therkelsen ca, basavapathruni a, jin l, boriack-sjodin pa, allain cj, klaus cr, raimondi a, scott mp, waters nj, chesworth r, moyer mp, copeland ra, richon vm, pollock rm. potent inhibition of dot1l as treatment of mll-fusion leukemia. blood. 2013 aug 8;122(6):1017-1025.
Properties of (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
Boiling point: | 835.3±75.0 °C(Predicted) |
Density | 1.45±0.1 g/cm3(Predicted) |
storage temp. | Store at -20°C |
solubility | ≥28.15 mg/mL in DMSO; insoluble in H2O; ≥50.3 mg/mL in EtOH with ultrasonic |
form | solid |
pka | 12.34±0.10(Predicted) |
color | White to light yellow |
Safety information for (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
New Products
6-Bromo 2-Iodo Indole Pyridine 2,4,6-Tricarboxaldehyde Fosfomycin EP impurity D Rimegepant Impurity 3 Ivermectin EP Impurity B Tubulysin G Tubulysin F Tubulysin B Diethyl Aluminium Cyanide (1.0 M in Toluene) (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine Fuel shell 2-[2-[3(S)-3[2-(7-chloro-2-quinolinyl) ethenyl] phenyl-3- hydroxyl propyl] phenyl]-2-propanol Imeglimin Hydrochloride IH Calcium Sodium Phosphosilicate IH 2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol ethanedioate 2-Chloro-3-(chloromethyl)pyridine 5-Aminophthalazine 3,6-Bis(4-bromophenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione Methyl 4-amino-3-(pyrrolidin-1-yl)benzoate Methyl 4-amino-3-(4-phenylpiperazin-1-yl)benzoate 3,6-Bis(4-iodophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 3-HYDROXY-8-FLUORONAPHTHALENE-1-BORONIC ACID PINACOL ESTER ((E)-3-(Dimethylamino)-2-methylacrylaldehyde 3-Fluro-6,7-dihydro-5H-Pyrrolo [3,4-b]pyridine dihydro chlorideRelated products of tetrahydrofuran
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