4-[4'-(エタンスルホニル)-6-フルオロ-2'-メトキシ-[1,1'-ビフェニル]-3-イル]-7-エチルイミダゾ[4,5-c]ピリダジン
Darigabat
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基本情報
- CAS
1614245-70-3- 標準SMILES
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21- InChIKey
PTTQXDBPTFOCMT-UHFFFAOYSA-N- 分子式
- C22H21FN4O3S
- 平均分子量
- 440.5 g/mol
- 単同位体質量
- 440.13183975
概要
Darigabat is under investigation in clinical trial NCT05941442 (A Study to Evaluate Efficacy, Safety, and Tolerability of Darigabat in Participants With Panic Disorder).
名称と識別子
- 優先名称
- Darigabat
- IUPAC
- 7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
- 現地名
- 4-[4'-(エタンスルホニル)-6-フルオロ-2'-メトキシ-[1,1'-ビフェニル]-3-イル]-7-エチルイミダゾ[4,5-c]ピリダジン
- 英語名
- PF-06372865
- 分子式
- C22H21FN4O3S
- 分子量
- 440.49
名称と別名
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)
名称をさらに表示
4-[3-[4-(エチルスルホニル)-2-メトキシフェニル]-4-フルオロフェニル]-7-エチル-7H-イミダゾ[4,5-c]ピリダジン4-[4'-(エタンスルホニル)-6-フルオロ-2'-メトキシ-[1,1'-ビフェニル]-3-イル]-7-エチル-7H-イミダゾ[4,5-c]ピリダジン4-[4'-(エタンスルホニル)-6-フルオロ-2'-メトキシ-[1,1'-ビフェニル]-3-イル]-7-エチルイミダゾ[4,5-c]ピリダジンダリガバット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
物性
構造計算による物性補完中
- XLogP
- 2.9
- 極性表面積
- 95.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 6
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 705
物理化学的性質
- 融点
- 184 · 184 - 186°C
- 沸点
- 577.2 · 577.2±60.0 °C(Predicted)
- 比重(密度)
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C Freezer, Under inert atmosphere
- 溶解性
- クロロホルム（微量）、DMSO（微量）、メタノール（微量、加温）
- 外見
- 個体
- 酸解離定数(Pka)
- -0.55 · -0.55±0.30(Predicted)
- 色
- ホワイトからライトベージュ
化学と産業
薬理情報
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.
応用分野
使用PF 06372865 are used as GABAA receptor modulators to treat pain.
関連反応
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