CAS Number164365-88-2
Synonyms4-bromobutylamine tert-butylcarbamate; N-Boc 4-bromobutan-1-amine; tert-butyl 4-bromobutylcarbamate; Carbamic acid, N-(4-bromobutyl)-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl (4-bromobutyl)carbamate; MFCD06201020; N-(4-Bromobutyl)-Carbamic Acid 1,1-Dimethylethyl Ester; tert-Butyl (4-bromobutyl)carbamate
Molecular FormulaBr(CH2)4NHCO2C(CH3)3
Molecular Weight252.15
Purity≥90 (AT)%
Density1.2±0.1 g/cm3
Boiling Point308.8±25.0 °C at 760 mmHg
Appearanceliquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 164365-88-2 |
| Catalog No. | 2A-9034212 |
| Chinese Name | 4-(Boc-氨基)丁基溴 |
| Synonyms | 4-bromobutylamine tert-butylcarbamate; N-Boc 4-bromobutan-1-amine; tert-butyl 4-bromobutylcarbamate; Carbamic acid, N-(4-bromobutyl)-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl (4-bromobutyl)carbamate; MFCD06201020; N-(4-Bromobutyl)-Carbamic Acid 1,1-Dimethylethyl Ester; tert-Butyl (4-bromobutyl)carbamate |
| Molecular Formula | Br(CH2)4NHCO2C(CH3)3 |
| Molecular Weight | 252.15 |
| Purity | ≥90 (AT) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 308.8±25.0 °C at 760 mmHg |
| Appearance | liquid |
| Storage Condition | 2-8°C, sealed at room temperature, cool, ventilate |
| Application | Boc-NH-C4-Br is an alkyl chain-based PROTAC linker that can be used to synthesize PROTAC[1]. |
| HTC | 2924199090 |
| PubChem ID | 57653383 |
| MDL Number | MFCD06201020 |
| SMILES | BrCCCCNC(OC(C)(C)C)=O |
| InChI | 1S/C9H18BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12) |
| InChI Key | GKGFAEREWWZBKY-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/34212_1_164365_88_2.pdf |
| Bioactivity | Boc-NH-C4-Br is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> PROTAC >> PROTAC Linker In Vitro PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1]. References [1]. Hu R, et, al. Identification of a selective BRD4 PROTAC with potent antiproliferative effects in AR-positive prostate cancer based on a dual BET/PLK1 inhibitor. Eur J Med Chem. 2022 Jan 5;227:113922. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 308.8±25.0 °C at 760 mmHg Molecular Formula C9H18BrNO2 Molecular Weight 252.149 Flash Point 140.5±23.2 °C Exact Mass 251.052078 PSA 38.33000 LogP 2.78 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.473 InChIKey GKGFAEREWWZBKY-UHFFFAOYSA-N SMILES CC(C)(C)OC(=O)NCCCCBr Storage condition 2-8°C |
| Use of | Boc-NH-C4-Br is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Properties Name tert-butyl N-(4-bromobutyl)carbamate Synonym More Synonyms Boc-NH-C4-Br Biological Activity Description Boc-NH-C4-Br is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> PROTAC >> PROTAC Linker In Vitro PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1]. References [1]. Hu R, et, al. Identification of a selective BRD4 PROTAC with potent antiproliferative effects in AR-positive prostate cancer based on a dual BET/PLK1 inhibitor. Eur J Med Chem. 2022 Jan 5;227:113922. Chemical & Physical Properties Molecular Formula C9H18BrNO2 Exact Mass 251.052078 PSA 38.33000 Index of Refraction 1.473 InChIKey GKGFAEREWWZBKY-UHFFFAOYSA-N SMILES CC(C)(C)OC(=O)NCCCCBr |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 95.0% |
| 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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