기본 정보
- CAS
325715-02-4- 표준 SMILES
CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1- InChIKey
CBIAWPMZSFFRGN-UHFFFAOYSA-N- 분자식
- C20H16N4O2S
- 평균 분자량
- 376.4 g/mol
- 단동위원소 질량
- 376.09939694
이름 및 식별자
- 우선 이름
- Indiplon
- IUPAC
- N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
- 현지명
- 인디플론
- 영어명
- Indiplon
- 분자식
- C20H16N4O2S
- 분자량
- 376.43
이름 및 동의어
Indiplon325715-02-4NBI-34060CalenthysN-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide8BT63DA42EIndiploneN-methyl-N-(3-(3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)acetamideCL-285489DTXSID80186270N-methyl-N-{3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}acetamideindiplonum
이름 더 보기
인디플론CS-779CL 285,489)Unii-8bt63da42eIndiplon (NBI 34060AcetaMide,N-Methyl-N-[3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrN-Methyl-N-[3-[3-[2-thienylcarbonyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamideN-Methyl-N-[3-[3-(thien-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
N-methyl-N-(3-(3-((thiophen-2-yl)carbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)acetamideN-methyl-N-(3-(3-(thiophene-2-carbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)acetamideN-methyl-N-(3-{3-[(thiophen-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)acetamideRefChem:790919DTXCID90108761Indiplon-d3NBI 34060Indiplon [USAN:INN]
데이터베이스 식별자
- CAS
325715-02-4- PubChem CID
- 6450813
- DTXSID
DTXSID80186270- ChEMBL
CHEMBL262075- ChEBI
CHEBI:188583- UNII
- 8BT63DA42E
- EC Number
- 608-755-3
- Nikkaji
- J1.855.248E
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 95.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 574
물리화학적 성질
- 녹는점
- 192 oC · >192oC (dec.)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨, 가열)
- 산도 계수 (pKa)
- -1.42 · -1.42±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 연한 노란색에서 진한 노란색까지
- InChI
- 1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
- InChIKey
- CBIAWPMZSFFRGN-UHFFFAOYSA-N
- SMILES
- [s]1c(ccc1)C(=O)c2c3[n](nc2)C(=CC=N3)c4cc(ccc4)N(C)C(=O)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/MetabolitesIndiplon has known human metabolites that include N-Desmethylindiplon.
MeSH Pharmacological Classification
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here.
응용 분야
개요Indiplon is a pyrazolopyrimidine that acts as a high-affinity positive allosteric modulator of the GABAA receptor, potentiating GABA-activated chloride currents in a dose-dependent and reversible manner. Indiplon is selective for α1 subunits (EC50 = 2.6 nM) as compared with α2, α3, or α5 (EC50 = 24, 60, and 77 nM). Through this action, indiplon has sedative and hypnotic effects that can improve sleep onset, maintenance, and duration.
용도Indiplon is a member of pyrimidines with sedative, hypnotic. Indiplon has been used in trials studying the treatment of Insomnia and Depression.
공급사59 곳
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