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탈람파넬

Talampanel

HCID 164509
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
161832-65-1
표준 SMILES
CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
InChIKey
JACAAXNEHGBPOQ-LLVKDONJSA-N
분자식
C19H19N3O3
평균 분자량
337.4 g/mol
단동위원소 질량
337.14264148

개요

Talampanel is a member of benzodioxoles.

이름 및 식별자

우선 이름
Talampanel
IUPAC
1-[(8R)-5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone
현지명
탈람파넬
영어명
Talampanel
분자식
C19H19N3O3
분자량
337.37

이름 및 동의어

Talampanel161832-65-1(-)-TalampanelLY-300164GYKI-537731-[(8R)-5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanoneLY300164CVS43XG1L5(R)-(-)-1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepineDTXSID101672597H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-, (8R)-GYKI53773
이름 더 보기
탈람파넬C13670CS-1843AmpanelKinampaAC1L4UWPAC1Q5KPRLY 300164GYKI 53773Talampanel (INN)
talampanelum1-((8R)-5-(4-Aminophenyl)-8-methyl-8,9-dihydro-(1,3)dioxolo(4,5-h)(2,3)benzodiazepin-7-yl)ethanone7H-1,3-Dioxolo[4,5-h][2,3]benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-, (8R)-RefChem:187215DTXCID70897507-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)benzodiazepine(R)-7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)benzodiazepine1-(4'-aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine

데이터베이스 식별자

CAS
161832-65-1
PubChem CID
164509
DTXSID
DTXSID10167259
ChEMBL
CHEMBL61872
ChEBI
CHEBI:34992
UNII
CVS43XG1L5
EC Number
803-174-3
Nikkaji
J722.092H

물성

구조 계산 물성

XLogP
2.7
극성 표면적
77.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
1
무거운 원자 수
25
형식 전하
0
복잡도
544

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점
169 · 169-172°
끓는 점
528.9 · 528.9±60.0 °C(Predicted)
밀도
1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
15 mg/mL, · DMSO: 용해성15mg/mL, 투명
물리적 상태
가루
산도 계수 (pKa)
4.67 · 4.67±0.10(Predicted)
색상
흰색에서 베이지색
InChI
1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1
InChIKey
JACAAXNEHGBPOQ-LLVKDONJSA-N
SMILES
C[C@H](C1)N(C(C)=O)N=C(C2=CC=C(N)C=C2)C3=C1C=C(OCO4)C4=C3

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk
3
ridadr
UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code
25-50/53
hazard_code
T,N
safety_code
45-60-61
Hazard Classifications
Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Talampanel, a potent and selective alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionate (AMPA)-receptor antagonist, is a potential new antiepileptic drug (AED). Talampanel dosing strategies may be reliant on concomitant AED medication, as enzyme-inducing AEDs enhance, whereas VPA inhibits its metabolism. Talampanel was well tolerated, although adverse events occurred at lower doses compared with those in healthy subjects, probably because of the additive effect of concomitant AEDs.

Mechanism of Action · 1건

Talampanel is a potent noncompetitive and selective antagonist of the glutamine AMPA receptors. Studies in primates have shown that the administration of talampanel to parkinsonian monkeys significantly decreased levodopa-induced dyskinesias by 40%. When given alone, talampanel did not modify the severity of parkinsonian symptoms. However, in combination with levodopa, talampanel potentiated the antiparkinsonian action of levodopa by increasing motor activity.

Biological Half-Life3-6 hours
Absorption, Distribution and ExcretionRapidly absorbed, with maximal plasma concentrations achieved within 1-3 hours.

응용 분야

용도Talampanel is a potent and selective AMPA antagonist and is also used as an antiepileptic drug.

관련 반응

1건
반응 기록 만들기
HRID 1595170 반응식
HRID 1595170생성물로uspto-grants-2001_09

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