3-이소부틸-1-메틸삭틴
3-이소부틸-1-메틸삭틴 · IBMX · MIX · IMX · 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione · SC 2964 · I5879-1G · NSC 165960
식별자 및 물리적 특성
| CAS No. | 28822-58-4 |
|---|---|
| 분자식 | C10H14N4O2 |
| 평균 분자량 | 222.24 g/mol |
| 단동위원소 질량 | 222.1116757 g/mol |
| SMILES | CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21 |
| InChIKey | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| PubChem CID | 3758 |
| ChEMBL | CHEMBL275084 |
| ChEBI | CHEBI:34795 |
| EC No. | 249-259-3 |
| DTXSID | DTXSID0040549 |
| 현지명 | 3-이소부틸-1-메틸삭틴 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 69.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 318 |
| Kovats Retention Index | 2150 |
| Collision Cross Section | 147.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 200-201 °C(lit.) |
| 끓는 점 | 363.42°C (rough estimate) |
| 밀도 | 1.2042 (rough estimate) |
| 굴절률 | 1.6500 (estimate) |
| 저장 조건 | -20°C |
| 용해도 | DMSO: 1 M(약간 따뜻하게 데우기) |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 8.61±0.70(Predicted) |
| 색상 | 회백색 |
| BRN | 247859 |
| 안정성 | 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다. |
| InChI | InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) |
| InChIKey | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| SMILES | N1C2=C(N(CC(C)C)C(=O)N(C)C2=O)NC=1 |
화학적 성질
White Needles with Yellow Cast
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | ZD8500000 |
| 관세 코드 | 29335990 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Isobutyl-1-methylxanthine is used in inhibition of phenylephrine-induced release of 5-hydroxytryptamine from neuroendocrine epithelial cells of the airway mucosa (IC50 = 1.3 uM). Also inhibits ion channels in the neuromuscular junction, GH3 cells, and vascular smooth muscle cells. Inhibits the growth of carcinoma cells both in vivo and in vitro in mice.
일반 설명
3-isobutyl-1-methylxanthine/IBMX is a non-selective, non-specific inhibitor of cAMP and cGMP phosphodiesterases. IBMX can induce melanogenesis, and can be used as a positive control in melanogenesis research. In oocyte research, IBMX assists in maintaining the germinal vesicle (GV) arrest of prophase I oocytes.