Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(+/-)메토프테린
(+/-)메토프테린 · dl-amethopterin · dl-MTX · 6-mtx(dl) · NSC 117356 · AKOS 93273 · -)AMETHOPTERIN · dl-methotrexate
식별자 및 물리적 특성
| CAS No. | 51865-79-3 |
|---|---|
| 분자식 | C20H22N8O5 |
| 평균 분자량 | 454.4 g/mol |
| 단동위원소 질량 | 454.1713158 g/mol |
| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
| InChIKey | FBOZXECLQNJBKD-UHFFFAOYSA-N |
| PubChem CID | 4112 |
| ChEMBL | CHEMBL426 |
| ChEBI | CHEBI:93775 |
| EC No. | 262-213-7 |
| DTXSID | DTXSID40859034 |
| 현지명 | (+/-)메토프테린 |
화학 및 물리적 성질
| XLogP | -1.8 |
|---|---|
| 극성 표면적 | 211 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 12 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 33 |
| 형식 전하 | 0 |
| 복잡도 | 704 |
| 의약품 | Pharmaceuticals |
| 녹는점 | 195 °C (dec.)(lit.) |
| 밀도 | 1.536±0.06 g/cm3(Predicted) |
| 저장 조건 | −20°C |
| 용해도 | H2O: 최소량의 0.1L NaOH를 첨가하여 용해시킨 다음 중성 완충액이나 식염수로 희석합니다. 희석된 스톡은 냉장 보관 시 1주일, 냉동 보관 시 섭씨 20°C에서 1개월 동안 안정적입니다. |
| pKa(산도 계수) | 3.47±0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 노란색 |
화학적 성질
yellow to orange crystalline powder
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Treatment | Administer charcoal as a slurry. Consider gastric lavage after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion (generally within 1 hour). Protect airway by placement in Trendelenburg and left lateral decubitus position or by endotracheal intubation. Control any seizures first. Glucarpidase has been used intravenously in combination with thymidine and leucovorin to treat methotrexate toxicity. (T36) |
| 건강 영향 | A small percentage of patients develop hepatitis, and there is an increased risk of pulmonary fibrosis where dry cough can be an important sign. The higher doses of methotrexate often used in cancer chemotherapy can cause toxic effects to the rapidly-dividing cells of bone marrow and gastrointestinal mucosa. The resulting myelosuppression and mucositis are often prevented (termed Leucovorin "rescue"- as this is the folic acid based drug used) (L1079). |
| 노출 경로 | Inhalation (A314)dermal (A314)intravenous (A314) Oral absorption is dose dependent in adults and leukemic pediatric patients. In adults, peak serum levels are reached within one to two hours. At doses of 30 mg/m^2 or less, methotrexate is generally well absorbed with a mean bioavailability of 60%. At doses greater than 80 mg/m^2, the absorption of the doses is significantly less due to a saturation effect. |
| 독성 요약 | Methotrexate anti-tumor activity is a result of the inhibition of folic acid reductase, leading to inhibition of DNA synthesis and inhibition of cellular replication. The mechanism involved in its activity against rheumatoid arthritis is not known. |
| Signs and Symptoms | Symptoms of overdose include bone marrow suppression and gastrointestinal toxicity. |
| Carcinogen Classification | 3, not classifiable as to its carcinogenicity to humans. (L135) |
| Toxicity Data | LD50: 43 mg/kg (Oral, Rat) (A308) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | MA1224100 |
| 운송 번호(UN) | UN 1544 6.1/PG 2 |
| 위험 문구(R) | 61-25-36/38-23/24/25 |
| 위험 표시 | T |
| 안전 문구(S) | 53-26-36/37-45-36/37/39 |
용도
용도
Amethopterin is an antineoplastic, antirheumatic, folic acid antagonist