Darigabat
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기본 정보
- CAS
1614245-70-3- 표준 SMILES
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21- InChIKey
PTTQXDBPTFOCMT-UHFFFAOYSA-N- 분자식
- C22H21FN4O3S
- 평균 분자량
- 440.5 g/mol
- 단동위원소 질량
- 440.13183975
개요
Darigabat is under investigation in clinical trial NCT05941442 (A Study to Evaluate Efficacy, Safety, and Tolerability of Darigabat in Participants With Panic Disorder).
이름 및 식별자
- 우선 이름
- Darigabat
- IUPAC
- 7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
- 영어명
- PF-06372865
- 분자식
- C22H21FN4O3S
- 분자량
- 440.49
이름 및 동의어
DarigabatPF-063728651614245-70-3CVL-865O9BP19HZ3Q7H-Imidazo(4,5-C)pyridazine, 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxy(1,1'-biphenyl)-3-yl)-RefChem:130962Darigabat [INN]Darigabat [USAN]Darigabat [USAN:INN]UNII-O9BP19HZ3QDarigabat (USAN)
이름 더 보기
PF06372865,PF 06372865Darigabat, 10 mM in DMSOCVL-865|||PF-6372865|||PF-063728657H-Imidazo[4,5-c]pyridazine, 7-ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxy[1,1'-biphenyl]-3-yl]-7-Ethyl-4-[4′-(ethylsulfonyl)-6-fluoro-2′-methoxy[1,1′-biphenyl]-3-yl]-7H-imidazo[4,5-c]pyridazine (ACI)
WHO 114987-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazinePF 063728657-Ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine7-Ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxy-[1,1'-biphenyl]-3-yl)-7H-imidazo[4,5-c]pyridazine7-Ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxy[1,1'-biphenyl]-3-yl]-7H-imidazo[4,5-c]pyridazine; 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'methoxybiphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine; Darigabat7-Ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl]-7H-imidazo[4,5-c]pyridazineC22H21FN4O3S
데이터베이스 식별자
- CAS
1614245-70-3- PubChem CID
- 76287260
- DTXSID
DTXSID401358731- ChEMBL
CHEMBL3647536- UNII
- O9BP19HZ3Q
- Nikkaji
- J3.766.590H
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 705
물리화학적 성질
- 녹는점
- 184 · 184 - 186°C
- 끓는 점
- 577.2 · 577.2±60.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -0.55 · -0.55±0.30(Predicted)
- 색상
- 흰색~밝은 베이지
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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
용도PF 06372865 are used as GABAA receptor modulators to treat pain.
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