2,4-티아졸리딘 디온
2,4-티아졸리딘디온 · 2,4-티아졸리딘다이온 · THIAZOLIDINE-2,4-DIONE · TZD · Thiazolidinedione · 2,4-Thiazolidindione · U 25560 · idinedione
식별자 및 물리적 특성
| CAS No. | 2295-31-0 |
|---|---|
| 분자식 | C3H3NO2S |
| 평균 분자량 | 117.13 g/mol |
| 단동위원소 질량 | 116.98844934 g/mol |
| SMILES | O=C1CSC(=O)N1 |
| InChIKey | ZOBPZXTWZATXDG-UHFFFAOYSA-N |
| PubChem CID | 5437 |
| ChEMBL | CHEMBL85398 |
| ChEBI | CHEBI:50992 |
| EC No. | 218-941-2 |
| DTXSID | DTXSID5040623 |
| 현지명 | 2,4-티아졸리딘 디온 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 71.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 122 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 녹는점 | 125-127 °C (lit.) |
| 끓는 점 | 178-179 °C (19 mmHg) |
| 밀도 | 1.408 (estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.5130 (estimate) |
| 인화점 | 178-179°C/19mm |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 6.50±0.10(Predicted) |
| 색상 | 약간 노란색 |
| 용해도 | 물(3°C에서 30mg/ml), 메탄올, DMSO, 에탄올 및 에틸 에테르에 용해됩니다. |
| BRN | 110700 |
| InChI | 1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) |
| InChIKey | ZOBPZXTWZATXDG-UHFFFAOYSA-N |
| SMILES | O=C1CSC(=O)N1 |
| LogP(분배 계수) | -0.29 at 25℃ |
| NIST | 2,4-Thiazolidinedione(2295-31-0) |
| EPA | 2,4-Thiazolidinedione (2295-31-0) |
화학적 성질
White to Off-White Powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.WarningH302 (53.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Cease Manufacture Update: 01-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19571 |
| Hazard Classes and Categories | Acute Tox. 4 (53.8%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XJ5775000 |
| 관세 코드 | 29341000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36-26 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2,4-Thiazolidinedione may be used in the synthesis of sixteen 5-arylidene-2,4-thiazolidinediones, via ultrasound-promoted aldol condensation reaction. It may be used as starting material for the synthesis of drugs with antihyperglycemic activity.
일반 설명
2,4-Thiazolidinedione is a well-known peroxisome proliferator-activated receptors (PPAR) activator. Its effect on aging process using kidneys from Fischer 344 rats has been reported. A library of conjugates of 2,4-thiazolidinedione has been synthesized by Knoevenagel condensation followed by reduction using hydrogen gas and Pd/C catalyst. Knoevenagel condensation of various aromatic aldehydes with 2,4-thiazolidinedione in polyethylene glycol-300 has been reported.