Jnj-26483327
基本情報
- CAS
807640-87-5- 標準SMILES
COc1cc2ncnc3c2cc1OCCCCCN(C)Cc1ccc(Br)cc1N3- InChIKey
JXDYOSVKVSQGJM-UHFFFAOYSA-N- 分子式
- C22H25BrN4O2
- 平均分子量
- 457.4 g/mol
- 単同位体質量
- 456.11609
概要
Multitargeted Tyrosine Kinase Inhibitor JNJ-26483327 is an orally bioavailable, small-molecule, multitargeted reversible tyrosine kinase inhibitor with potential antineoplastic activity. Multitargeted tyrosine kinase inhibitor JNJ-26483327 binds to and inhibits several members of the epidermal growth factor receptor (EGFR) family, including EGFR, HER2 and HER4; Src family kinases (Lyn, Yes, Fyn, Lck and Src); and vascular endothelial growth factor receptor type 3 (VEGFR3). By inhibiting several different signaling molecules that play crucial roles at various stages in tumorigenesis, this agent may inhibit tumor growth, invasion, migration and metastasis. In addition, JNJ-26483327 crosses the blood-brain barrier (BBB).
名称と識別子
- 優先名称
- Jnj-26483327
- IUPAC
- 5-bromo-18-methoxy-10-methyl-16-oxa-2,10,21,23-tetrazatetracyclo[15.6.2.03,8.020,24]pentacosa-1(23),3(8),4,6,17,19,21,24-octaene
- 英語名
- JNJ 26483327
- 分子式
- C22H25BrN4O2
- 分子量
- 457.36
名称と別名
807640-87-5JNJ-26483327JNJ 2648332716720VER1H17-Bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-4,6-ethenopyrimido(4,5-b)(6,1,12)benzoxadiazacyclopentadecine4,6-Ethenopyrimido(4,5-b)(6,1,12)benzoxadiazacyclopentadecine, 17-bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-4,6-Ethenopyrimido[4,5-b][6,1,12]benzoxadiazacyclopentadecine, 17-bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-RefChem:150530TKI JNJ-26483327Multitargeted Tyrosine Kinase Inhibitor JNJ-26483327BGB-102CHEMBL3109738
名称をさらに表示
BGB102BGB 102MTKi-327EOS-60486BGB102,BGB 10217-Bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-4,6-ethenopyrimido[4,5-b][6,1,12]benzoxadiazacyclopentadecine
35-bromo-17-methoxy-5-methyl-11-oxa-2,5-diaza-1(4,6)-quinazolina-3(1,2)-benzenacycloundecaphaneJNJ 26483327 [WHO-DD]UNII-16720VER1Horb1710265SCHEMBL1901609SCHEMBL29353019SCHEMBL29573154jnj26483327
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 59.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 513
物理化学的性質
- 沸点
- 582.4 · 582.4±50.0 °C(Predicted)
- 比重(密度)
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Soluble in DMSO
- 外見
- Solid
- 酸解離定数(Pka)
- 8.26 · 8.26±0.20(Predicted)
- 色
- White to off-white
関連反応
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化合物ノート
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