Introduction：Basic information about CAS 161058-83-9|NU 2058, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | NU 2058 |
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| CAS Number | 161058-83-9 | Molecular Weight | 247.296 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 580.8±53.0 °C at 760 mmHg |
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| Molecular Formula | C12H17N5O | Melting Point | 199 °C |
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| MSDS | ChineseUSA | Flash Point | 305.0±30.9 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-amino-6-cyclohexyl-methyloxypurine |
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| Synonym | More Synonyms |
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NU 2058 BiologicalActivity
| Description | NU2058 is a guanine-based CDK inhibitor with IC50 of 17 μM and 26 μM for CDK2 and CDK1.IC50 value: 17μM (CDK2), 26μM (CDK1)Target: CDKin vitro: NU2058 is a competitive inhibitor of CDK2 with respect to ATP (Ki value CDK2, 12 3 μM) that binds in the ATP binding pocket in a different orientation from other purine-based inhibitors, including olomoucine and roscovotine. NU2058 is the lead compound in a structure-based drug discovery program to develop more potent and selective CDK inhibitors. |
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| Related Catalog | Research Areas >>Cancer |
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| Target | CDK2:17 μM (IC50) CDK1:26 μM (IC50) |
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| References | [1]. Rigas AC, et al. Therapeutic potential of CDK inhibitor NU2058 in androgen-independent prostate cancer. Oncogene. 2007 Dec 6;26(55):7611-7619. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 580.8±53.0 °C at 760 mmHg |
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| Melting Point | 199 °C |
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| Molecular Formula | C12H17N5O |
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| Molecular Weight | 247.296 |
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| Flash Point | 305.0±30.9 °C |
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| Exact Mass | 247.143311 |
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| PSA | 89.71000 |
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| LogP | 2.89 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.650 |
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| InChIKey | MWGXGTJJAOZBNW-UHFFFAOYSA-N |
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| SMILES | Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26;S36/S37 |
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| RIDADR | NONH for all modes of transport |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 7H-Purin-2-amine, 6-(cyclohexylmethoxy)- |
| MFCD05664734 |
| 6-(Cyclohexylmethoxy)-3H-purin-2-amine |
| O-Cyclohexylmethylguanine |
| O6-Cinnamylguanin |
| O6-Cyclohexylmethylguanine |
| 2-amino-6-cyclohexylmethoxypurine |
| O6cyclohexylmethylguanine |
| NU2058 |
