CAS Number4897-84-1
SynonymsButanoic acid, 4-bromo-, methyl ester; MFCD00041482; Butyric acid, 4-bromo-, methyl ester; EINECS 225-523-3; 4-Bromobutyric Acid Methyl Ester; Methyl 4-bromobutanoate; Methyl 4-bromobutyrate
Molecular FormulaC5H9BrO2
Molecular Weight181.028
Purity96+%
Density1.4±0.1 g/cm3
Boiling Point186.5±0.0 °C at 760 mmHg
AppearanceTransparent colorless to light yellow liquid
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4897-84-1 |
| Catalog No. | 2A-0158906 |
| Chinese Name | 4-溴丁酸甲酯 |
| Synonyms | Butanoic acid, 4-bromo-, methyl ester; MFCD00041482; Butyric acid, 4-bromo-, methyl ester; EINECS 225-523-3; 4-Bromobutyric Acid Methyl Ester; Methyl 4-bromobutanoate; Methyl 4-bromobutyrate |
| Molecular Formula | C5H9BrO2 |
| Molecular Weight | 181.028 |
| Purity | 96+ |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 186.5±0.0 °C at 760 mmHg |
| Appearance | Transparent colorless to light yellow liquid |
| Water Solubility | insoluble |
| Storage Condition | Store at room temperature, away from light, in a c |
| Application | Br-C3-methyl ester is a PROTAC linker, belonging to the Alkyl/ether class. Can be used to synthesize PROTAC PD-1/PD-L1 degrader-1 (HY-131183). |
| EINECS | 0 |
| HTC | 2915900090 |
| UN(IATA) | 0 |
| PubChem ID | 3155525 |
| SMILES | COC(=O)CCCBr |
| InChI | InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3 |
| InChI Key | QAWFLJGZSZIZHO-UHFFFAOYSA-N |
| Bioactivity | Br-C3-methyl ester is a Alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTAC PD-1/PD-L1 degrader-1 (HY-131183)[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> PROTAC >> PROTAC Linker Target Alkyl/ether 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]. Binbin Cheng, et al. Discovery of novel resorcinol diphenyl ether-based PROTAC-like molecules as dual inhibitors and degraders of PD-L1. Eur J Med Chem. 2020;199:112377. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 186.5±0.0 °C at 760 mmHg Molecular Formula C5H9BrO2 Molecular Weight 181.028 Flash Point 87.0±13.0 °C Exact Mass 179.978592 PSA 26.30000 LogP 1.47 Vapour Pressure 0.7±0.3 mmHg at 25°C Index of Refraction 1.456 InChIKey QAWFLJGZSZIZHO-UHFFFAOYSA-N SMILES COC(=O)CCCBr Storage condition Room temperature. Water Solubility insoluble |
| Use of | Properties Name Methyl 4-Bromobutyrate Synonym More Synonyms Br-C3-methyl ester Biological Activity Related Catalog Research Areas >> Cancer Signaling Pathways >> PROTAC >> PROTAC Linker Alkyl/ether 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]. Binbin Cheng, et al. Discovery of novel resorcinol diphenyl ether-based PROTAC-like molecules as dual inhibitors and degraders of PD-L1. Eur J Med Chem. 2020;199:112377. Chemical & Physical Properties Molecular Formula C5H9BrO2 Exact Mass 179.978592 PSA 26.30000 Index of Refraction 1.456 InChIKey QAWFLJGZSZIZHO-UHFFFAOYSA-N SMILES COC(=O)CCCBr Storage condition Room temperature. Water Solubility insoluble |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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