Lhc-165
基本情報
- CAS
1258595-14-0- 標準SMILES
Cc1cc(OCCOCCC(F)(F)P(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1- InChIKey
SDLWKRZBLTZSEL-UHFFFAOYSA-N- 分子式
- C29H32F2N3O7P
- 平均分子量
- 603.5 g/mol
概要
TLR7 Agonist LHC165 is a benzonapthyridine Toll-like receptor (TLR) 7 agonist that is adsorbed to aluminum hydroxide with immunostimulating and potential antitumor activities. Upon intratumoral administration of TLR7 agonist LHC165, the agent is slowly released and targets, binds to and activates TLR7. This may trigger, in addition to other possible responses, the activation of cluster of differentiation (CD) 8+ T cells and natural killer (NK) cells, the blockage of the suppressive function of regulatory T cells (Tregs), and the production of interferon alpha (IFNa). TLR7 is a member of the TLR family, which plays a fundamental role in pathogen recognition and activation of innate immunity.
名称と識別子
- 優先名称
- Lhc-165
- IUPAC
- 3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid
- 英語名
- Benzo[f][1,7]naphthyridine-8-propanoic acid, 5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]-
- 分子式
- C29H32F2N3O7P
- 分子量
- 603.55
名称と別名
LHC-165LHC165UNII-RD02U4QLM1Benzo(F)(1,7)naphthyridine-8-propanoic acid, 5-amino-2-(2-(4-(2-(3,3-difluoro-3-phosphonopropoxy)ethoxy)-2-methylphenyl)ethyl)-RefChem:153264TLR7 Agonist LHC165LHC 1651258595-14-0RD02U4QLM13-(5-amino-2-(4-(2-(3,3-difluoro-3-phosphonopropoxy)ethoxy)-2-methylphenethyl)benzo[f][1,7]naphthyridin-8-yl)propanoic acid3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acidSCHEMBL174281
名称をさらに表示
LHC 165,LHC165Benzo[f][1,7]naphthyridine-8-propanoic acid, 5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]-
orb1707070C29H32F2N3O7PCHEMBL6027253SCHEMBL29413224SCHEMBL29454511US9597326, Compound 20BDBM301804IAC59514
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 165 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 14
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 928
物理化学的性質
- 沸点
- 829.8 · 829.8±75.0 °C(Predicted)
- 比重(密度)
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C, · Store at -20°C, stored under nitrogen
- 溶解性
- 1 M · 1M NaOH : 50 mg/mL (82.84 mM; ultrasonic and adjust pH to 12 with NaOH)
- 外見
- Solid
- 酸解離定数(Pka)
- 1.19 · 1.19±0.10(Predicted)
- 色
- Light yellow to yellow
関連反応
1 件
化合物ノート
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