161058-83-9
161058-83-9 structure
- Name: NU 2058
- Chemical Name: 2-amino-6-cyclohexyl-methyloxypurine
- CAS Number: 161058-83-9
- Molecular Formula: C12H17N5O
- Molecular Weight: 247.296
- Catalog: Research Areas Cancer
- Create Date: 2018-03-04 08:00:00
- Modify Date: 2024-01-02 13:47:15
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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.
| Name | 2-amino-6-cyclohexyl-methyloxypurine |
|---|---|
| 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 |
| 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. |
|---|---|
| Related Catalog | |
| Target |
CDK2:17 μM (IC50) CDK1:26 μM (IC50) |
| References |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 580.8±53.0 °C at 760 mmHg |
| Melting Point | 199 °C |
| Molecular Formula | C12H17N5O |
| Molecular Weight | 247.296 |
| Flash Point | 305.0±30.9 °C |
| Exact Mass | 247.143311 |
| PSA | 89.71000 |
| LogP | 2.89 |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.650 |
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26;S36/S37 |
| RIDADR | NONH for all modes of transport |
| HS Code | 2933990090 |
| Precursor 2 | |
|---|---|
| DownStream 1 | |
| HS Code | 2933990090 |
|---|---|
| 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% |