L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine
E-64 · L-TRANS-EPOXYSUCCINYL-LEU-4-GUANIDINOBUTYLAMIDE · TRANS-EPOXYSUCCINYL-L-LEUCYLAMIDO-(4-GUANIDINO)BUTANE · E-64 HEMIHYDRATE · E-64 PROTEASE INHIBITOR · e64(proteinaseinhibitor) · E-64, cysteine protease inhibitor · L-TRANS-3-CARBOXYOXIRAN-2-CARBONYL-L-LEUCYLAGMATINE
식별자 및 물리적 특성
| CAS No. | 66701-25-5 |
|---|---|
| 분자식 | C15H27N5O5 |
| 평균 분자량 | 357.41 g/mol |
| 단동위원소 질량 | 357.20121896 g/mol |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N |
| InChIKey | LTLYEAJONXGNFG-HBNTYKKESA-N |
| PubChem CID | 439487 |
| ChEMBL | CHEMBL1458713 |
| EC No. | 613-978-4 |
| DTXSID | DTXSID90985271 |
화학 및 물리적 성질
| XLogP | -0.9 |
|---|---|
| 극성 표면적 | 172 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 11 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 518 |
| 녹는점 | >170°C (dec.) |
| 밀도 | 1.44±0.1 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 용해도 | H2O: 20 mg/mL, 투명, 무색 |
| pKa(산도 계수) | 3.16±0.40(Predicted) |
| 물리적 상태 | 흰색 고체 |
| 색상 | 흰색 또는 황백색 |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | DMSO(25mg/ml) 또는 물(20mg/ml)에 용해됩니다. |
| BRN | 1405664 |
| 안정성 | 제공된 대로 구매일로부터 1년 동안 안정적입니다. |
| InChIKey | LTLYEAJONXGNFG-DCAQKATOSA-N |
| SMILES | O1[C@H](C(N[C@H](C(NCCCCNC(N)=N)=O)CC(C)C)=O)[C@H]1C(O)=O |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH371 (25%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | STOT SE 2 (25%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | RR0390000 |
| 관세 코드 | 29252900 |
| 안전 문구(S) | 22-24/25 |
| F 고인화성물질 | 10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
It is used as a broad spectrum cysteine proteinase and calpain activation inhibitor. Additionally, Prevotella intermediate studies report that E-64 blocks the breakdown of methaemoglobin and the oxidation of oxyhaemoglobin by InpA. E-64 has also been used to study excystation in Giardia lamblia. E-64 is an inhibitor of Calpain, cathepsin K and cathepsin S. E-64 is an effective ligand for affinity purification of cysteine proteases. When coupled to a thiolated affinity matrix, binding is no longer irreversible, but specificity is retained
일반 설명
E-64 is a cysteine protease inhibitor that was isolated from the mold Aspergillus japonicus TPR-64. E-64 is also known as N-[N-(L-3-trans-carboxyoxiran-2-carbonyl)-L-leucyl]-agmatine. E-64 effectively inhibits various cysteine proteases, in particular:cathepsin Kcathepsin Lcathepsin SE-64 also acts against other enzymes, such as:calpaincathepsin Bcathepsin Hpapain