Introduction：Basic information about CAS 1320288-19-4|UNC0631, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | UNC0631 |
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| CAS Number | 1320288-19-4 | Molecular Weight | 635.926 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 763.4±70.0 °C at 760 mmHg |
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| Molecular Formula | C37H61N7O2 | Melting Point | / |
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| MSDS | / | Flash Point | 415.5±35.7 °C |
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Names
| Name | N-[1-(Cyclohexylmethyl)-4-piperidinyl]-2-(4-isopropyl-1,4-diazepa n-1-yl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinamine |
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| Synonym | More Synonyms |
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UNC0631 BiologicalActivity
| Description | UNC 0631 is a potent G9a inhibitor with IC50 value of 4 nM.IC50 value: 4 nM [1]Target: G9aUNC 0631, which had high in vitro potency versus G9a and improved lipophilicity, was highly potent (IC50 < 0.06 μM) in reducing H3K9me2 levels in MDA-MB-231 cells and had low cell toxicity. In particular, compounds 7 was more potent than compound 5 and had a similar tox/function ratio in MDAMB-231 cells. UNC 0631 showed excellent separation of functional potency versus cell toxicity in MDA-MB-231 cells, thecompound was further evaluated in a variety of cell lines to characterize it's cellular potency and cell toxicity. UNC 0631 had excellent tox/functionratios in these cell lines. |
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| Related Catalog | Signaling Pathways >>Epigenetics >>Histone MethyltransferaseResearch Areas >>Cancer |
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| References | [1]. Liu F, et al. Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. J Med Chem. 2011 Sep 8;54(17):6139-50. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 763.4±70.0 °C at 760 mmHg |
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| Molecular Formula | C37H61N7O2 |
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| Molecular Weight | 635.926 |
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| Flash Point | 415.5±35.7 °C |
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| Exact Mass | 635.488647 |
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| PSA | 72.46000 |
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| LogP | 6.29 |
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| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
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| Index of Refraction | 1.579 |
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| InChIKey | XFAXSWXKPQWHDW-UHFFFAOYSA-N |
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| SMILES | COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1 |
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| Storage condition | 2-8℃ |
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Synonyms
| N-(1-(benzo[d][1,3]dioxol-5-yl)propyl)-4-methylbenzenesulfonamide |
| N-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine |
| Benzenesulfonamide,N-[1-(1,3-benzodioxol-5-yl)propyl]-4-methyl |
| UNC0631 |
| UNC 0631 |
