基本情報
- CAS
1032349-77-1- 標準SMILES
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1- InChIKey
ULDXWLCXEDXJGE-UHFFFAOYSA-N- 分子式
- C25H21N5O
- 平均分子量
- 407.5 g/mol
- 単同位体質量
- 407.17461031
概要
MK-2206 is an organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted by 4-(1-aminocyclobutyl)phenyl and phenyl groups at positions 8 and 9, respectively. It is an allosteric Akt inhibitor. It has a role as an autophagy inducer, an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an apoptosis inducer. It is a member of cyclobutanes, a member of benzenes, an organic heterotricyclic compound and a primary amino compound.
名称と識別子
- 優先名称
- Mk-2206
- IUPAC
- 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one
- 英語名
- MK-2206
- 分子式
- C25H21N5O
- 分子量
- 407.47
名称と別名
MK-2206MK22068-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-oneMK 220651HZG6MP1KDTXSID3048948DTXCID0028874CHEBI:672711,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl(1,2,4)triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-2H-(1,2,4)triazolo(3,4-f)(1,6)naphthyridin-3-one
名称をさらに表示
MK-2206(FREE BASE)Benodanil Impurity 88-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-ol1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-
RefChem:5532191032349-77-14HA45S22ZZ1032349-93-1MK-2206 free baseMK-2206 (free base)CHEMBL10791758-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 83.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 760
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 35 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
応用分野
使用A highly selective inhibitor of Akt. Akt1, IC50=8 nM; Akt2, IC50=12 nM; Akt3, IC50=65 nM.
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