피카밀로네
피카밀로네 · Pikamilone · PIKAMILON · PICAMILON · Pikamiline · PikamiloneHCl · Picamilon >PICAMILON BASE · NICOTINOYL-GABA
식별자 및 물리적 특성
| CAS No. | 34562-97-5 |
|---|---|
| 분자식 | C10H12N2O3 |
| 평균 분자량 | 208.21 g/mol |
| 단동위원소 질량 | 208.08479225 g/mol |
| SMILES | O=C(O)CCCNC(=O)c1cccnc1 |
| InChIKey | NAJVRARAUNYNDX-UHFFFAOYSA-N |
| PubChem CID | 60608 |
| ChEMBL | CHEMBL4303255 |
| EC No. | 609-002-1 |
| DTXSID | DTXSID40188098 |
| 현지명 | 피카밀로네 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 79.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 231 |
| 녹는점 | 211.0 to 215.0 °C |
| 끓는 점 | 522.4±30.0 °C(Predicted) |
| 밀도 | 1.245 |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 4.60±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| InChI | InChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14) |
| InChIKey | NAJVRARAUNYNDX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCNC(C1=CC=CN=C1)=O |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| 관세 코드 | 2933599590 |
| 위험 표시 | Xi |
| 위험 등급 | IRRITANT |
용도
개요
Picamilon: an analogue of the neurotransmitter γ-aminobutyric acid (GABA)Picamilon is a derivative of γ-aminobutyric acid (GABA) and nicotinic acid developed in 1970 by the All-Union Vitamin Research Institute to increase central nervous system (CNS) levels of γ-aminobutyric acid (GABA). Drugs that can mimic or increase GABA activity in the brain have the potential to provide anti-anxiety and anti-convulsive effects. GABA itself, when consumed orally, does not cross the blood-brain barrier. Much research has, therefore, been devoted to developing orally active agents that have GABA-like effects. Both gabapentin (a GABA analogue) and picamilon were designed to be orally administered drugs that cross the blood-brain barrier and provide inhibitory CNS effects. Picamilon, prescribed in dosages from 50 mg to 200 mg, can cross the blood-brain barrier in animal models and, once in the CNS, is hydrolyzed into GABA and nicotinic acid. The released GABA could potentially have inhibitory properties, including anti-anxiety and anti-convulsant effects. Nicotinic acid would also be released, potentially leading to dilation of CNS blood vessels. The FDA has never approved picamilon for use in the USA, but picamilon is used in Russia to treat various neurological conditions[1].
용도
anti-cancer agent