데페록사민메실레이트
데페록사민메실레이트 · DFOM · desferal · DESFERRIOXAMINE MESYLATE · deferoxaminebmesylate · Desferioxamine mesylate · desferrioxamine mesilate · DEFEROXAMINE MESYLATE SALT
식별자 및 물리적 특성
| CAS No. | 138-14-7 |
|---|---|
| 분자식 | C26H52N6O11S |
| 평균 분자량 | 656.8 g/mol |
| 단동위원소 질량 | 656.34147748 g/mol |
| SMILES | CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O |
| InChIKey | IDDIJAWJANBQLJ-UHFFFAOYSA-N |
| PubChem CID | 62881 |
| ChEMBL | CHEMBL1234 |
| EC No. | 205-314-3 |
| DTXSID | DTXSID6037649 |
| 현지명 | 데페록사민메실레이트 |
화학 및 물리적 성질
| 극성 표면적 | 269 |
|---|---|
| 수소 결합 공여자 수 | 7 |
| 수소 결합 수용자 수 | 12 |
| 회전 가능 결합 수 | 23 |
| 무거운 원자 수 | 44 |
| 형식 전하 | 0 |
| 복잡도 | 832 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Collision Cross Section | 221.4 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 148-149° |
| 저장 조건 | 2-8°C |
| 용해도 | H2O: 50 mg/mL |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 물에 100mM까지 용해됨 |
| InChIKey | IDDIJAWJANBQLJ-UHFFFAOYSA-N |
| SMILES | C(=O)(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)CCC(=O)NCCCCCN(O)C(=O)C.S(=O)(=O)(O)C |
화학적 성질
DEFEROXAMINE MESYLATE is white or almost white powder.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.DangerH315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Desferrioxamine B mesylate: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-, monomethanesulfonate (salt): Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (60%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Deferoxamine mesylatevLess-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | UG5310000 |
| 독성 | man,TDLo,parenteral,16gm/kg/34W-I (16000mg/kg),CARDIAC: PERICARDITISGASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINEBLOOD: OTHER CHANGES,American Journal of Kidney Diseases. Vol. 10, Pg. 71, 1987. |
| 관세 코드 | 29280000 |
| 안전 문구(S) | 22-24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Deferoxamine is a bacterial siderophore that chelates iron. It is used to experimentally inhibit iron-dependent prolyl hydroxylases (EC50 = 17.8 μM), thus preventing the degradation of isoforms of hypoxia inducible factor during normoxia. Deferoxamine has applications in diseases that are characterized by high levels of circulating iron, such as thalassemia major.
용도
DEFEROXAMINE MESYLATE is an iron chelating agent used in therapy for patients with sickle cell diseases and iron overload. Studies suggest that it can exert potential antioxidant neuroprotective effects in stroke patients