Introduction：Basic information about CAS 4897-84-1|Br-C3-methyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Br-C3-methyl ester |
|---|
| CAS Number | 4897-84-1 | Molecular Weight | 181.028 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 186.5±0.0 °C at 760 mmHg |
|---|
| Molecular Formula | C5H9BrO2 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 87.0±13.0 °C |
|---|
Names
| Name | Methyl 4-Bromobutyrate |
|---|
| Synonym | More Synonyms |
|---|
Br-C3-methyl ester BiologicalActivity
| Description | 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 >>CancerSignaling 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 |
|---|
Safety Information
| Hazard Codes | Xn:Harmful; |
|---|
| Risk Phrases | R22;R36/37/38 |
|---|
| Safety Phrases | S37/39-S26 |
|---|
| HS Code | 2915900090 |
|---|
Customs
| HS Code | 2915900090 |
|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
|---|
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 |
