ダコミチニブ

化学名:ダコミチニブ

英語名:Dacomitinib (PF299804)

CBNumberCB22566418

MFC24H25ClFN5O2

MW469.94

别名

ダコミチニブ

(E)-N-[4-[(3-クロロ-4-フルオロフェニル)アミノ]-7-メトキシキナゾリン-6-イル]-4-(ピペリジン-1-イル)ブタ-2-エンアミド

(2E)-N-{4-[(3-クロロ-4-フルオロフェニル)アミノ]-7-メトキシキナゾリン-6-イル}-4-(ピペリジン-1-イル)ブタ-2-エンアミド

ダコミチニブ物理性質

融点	184-187°C
沸点	665.7±55.0 °C(Predicted)
比重(密度)	1.344
貯蔵温度	Refrigerator
溶解性	DMSO（微量）、メタノール（微量、加温）
外見	白い固体。
酸解離定数(Pka)	12.05±0.43(Predicted)
色	白色～淡黄色
InChIKey	LVXJQMNHJWSHET-AATRIKPKSA-N
SMILES	C(NC1C(OC)=CC2C(C=1)=C(NC1=CC=C(F)C(Cl)=C1)N=CN=2)(=O)/C=C/CN1CCCCC1
CAS データベース	1110813-31-4

安全性情報

HSコード

29335990

危険有害性情報のコード(GHS)

外観
白色～うすい黄色粉末～結晶
溶解性
DMSOに溶ける。DMSO(2mg/mL)
用途
ダコミチニブ（ PF-00299804 ）は、非小細胞肺癌(non-small cell lung cancer; NSCLC)の治療薬。
効能
抗悪性腫瘍薬, 受容体チロシンキナーゼ阻害薬
説明
The epidermal growth factor receptors (EGFR), whose members include ErbB1 (HER1), ErbB2 (HER2), ErbB3 (HER3), and ErbB4 (HER4), are receptor tyrosine kinases that are often over-expressed in cancer. PF-299804 is a second generation pan-ErbB receptor tyrosine kinase inhibitor (IC₅₀s = 6, 45.7, and 73.7 nM for ErbB1, ErbB2, and ErbB4, respectively) that irreversibly binds to the ATP site in the catalytic domains of ErbB receptors. At 15 mg/kg, it demonstrates antitumor activity ranging from delay in tumor growth to complete regression in various tumor xenograft models expressing either wild-type ErbB or mutant ErbB family members that show resistance to first generation ErbB kinase inhibitors.
使用
PF299804 is a potent, irreversible pan-ErbB inhibitor against ErbB1, ErbB2 and ErbB4 with IC50 of 6 nM, 45.7 nM and 73.7 nM, respectively.
定義
ChEBI: A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin 1-yl)but-2-enoyl group.
brand name
Vizimpro^TM