CAS Number161058-83-9
SynonymsMFCD05664734; 6-(Cyclohexylmethoxy)-3H-purin-2-amine; O-Cyclohexylmethylguanine; O6-Cinnamylguanin; O6-Cyclohexylmethylguanine; 2-amino-6-cyclohexylmethoxypurine; NU2058
Molecular FormulaC12H17N5O
Molecular Weight247.296
Purity96+%
Density1.3±0.1 g/cm3
Boiling Point580.8±53.0 °C at 760 mmHg
Melting Point199 °C
AppearanceSolid;White to Light yellow powder to crystal
EINECS0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 161058-83-9 |
| Catalog No. | 2A-0146490 |
| Chinese Name | O6-环甲基己基鸟嘌呤 |
| Synonyms | MFCD05664734; 6-(Cyclohexylmethoxy)-3H-purin-2-amine; O-Cyclohexylmethylguanine; O6-Cinnamylguanin; O6-Cyclohexylmethylguanine; 2-amino-6-cyclohexylmethoxypurine; NU2058 |
| Molecular Formula | C12H17N5O |
| Molecular Weight | 247.296 |
| Purity | 96+ |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 580.8±53.0 °C at 760 mmHg |
| Melting Point | 199 °C |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | Sealed in a cool, dry environment at 2-8 ºC |
| Application | NU2058 is a CDK inhibitor that inhibits CDK2 and CDK1 with IC50 values of 17μM and 26μM respectively. |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| SMILES | Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |
| InChI Key | MWGXGTJJAOZBNW-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/146490_1_161058_83_9.pdf |
| Bioactivity | 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 Research Areas >> Cancer Target CDK2:17 μM (IC50) CDK1:26 μM (IC50) 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. Chemical & Physical Properties 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 InChIKey MWGXGTJJAOZBNW-UHFFFAOYSA-N SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |
| Use of | Properties Name 2-amino-6-cyclohexyl-methyloxypurine Synonym More Synonyms NU 2058 Biological Activity Related Catalog Research Areas >> Cancer CDK2:17 μM (IC50) CDK1:26 μM (IC50) 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. Chemical & Physical Properties Molecular Formula C12H17N5O Exact Mass 247.143311 PSA 89.71000 Index of Refraction 1.650 InChIKey MWGXGTJJAOZBNW-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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