1610358-53-6 5-氟-4-(4-氟-2-甲氧基苯基)-N-(4-((S-甲基磺酰亚胺基)甲基)吡啶-2-基)吡啶-2-胺

中文名称: 5-氟-4-(4-氟-2-甲氧基苯基)-N-(4-((S-甲基磺酰亚胺基)甲基)吡啶-2-基)吡啶-2-胺
英文名称: ((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone
CAS号
分子式: C₁₉H₁₈F₂N₄O₂S
分子量: 404.43
更新日期: 2026-05-09

名称和标识

中文名: 5-氟-4-(4-氟-2-甲氧基苯基)-N-(4-((S-甲基磺酰亚胺基)甲基)吡啶-2-基)吡啶-2-胺
英文名: ((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone
CAS号: 1610358-53-6
分子式: C19H18F2N4O2S
分子量: 404.43
中文别名: (±)-Enitociclib
英文别名: DL-Enitociclib; ( inverted exclamation markA)-Enitociclib; (+/-)-BAY-1251152; (+/-)-Enitociclib; (+)-BAY-1251152; (Inverted exclamation markA)-BAY-1251152; MFCD31619237; (+)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine; ((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone; CHEMBL4756595; ( inverted exclamation markA)-BAY-1251152; (-)-((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone; (+)-Enitociclib; (+)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-(4-((S-methylsulfonimidoyl)methyl)pyridin-2-yl)pyridin-2-amine; (??)-Enitociclib; (-)-BAY-1251152; orb572940; orb1308900; orb1818752; orb3132248; C19H18F2N4O2S; SCHEMBL15720569; SCHEMBL29583587; SCHEMBL30140732; CHEBI:231682; YZCUMZWULWOUMD-UHFFFAOYSA-N; DTXSID701110196; GLXC-23781; (R)-((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone; KPC35856; KPC35859; BDBM50553483; NSC802450; AKOS040740628; EX-A2674-1; HY-103019A; HY-103019E; NSC-802450; T13420L; BAY 1251152?; MS-26910; SY233144; CS-0028326; CS-1099519; (-)-BAY-1251152?; F82122; F82152; G60985; T13467; (+/-)-BAY-1251152?; (+)-BAY-1251152; (+)-VIP152; (-)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]-2-pyridinyl]-2-pyridinamine; (rac)-5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine; [5-Fluoro-4-(4-fluoro-2-methoxy-phenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine; 5-fluoro-4-(4-fluoro-2-methoxy-phenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridyl]pyridin-2-amine; 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-(4-(S-methylsulfonimidoylmethyl)pyridin-2-yl)pyridin-2-amine; 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]-2-pyridyl]-2-pyridinamine; 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine

物化属性

形态: 固体
颜色: 白色至浅黄色
储存条件/存储条件: -20°C，密闭，干燥
分子量: 404.4
密度: 1.36±0.1 g/cm3(Predicted)
沸点: 494.2±55.0 °C(Predicted)
溶解度/溶解性: 0.00318 mg/ml ; 0.00000786 mol/l
精确质量: 404.11185333
BBB穿透: No
CYP1A2抑制: Yes
CYP2C19抑制: Yes
CYP2C9抑制: Yes
CYP2D6抑制: Yes
CYP3A4抑制: Yes
GI吸收: High
P-gp底物: No
Brenk告警: 0.0 alert
Leadlikeness: 2.0
PAINS告警: 0.0 alert
合成可及性: 3.8
Egan规则: 1.0
Ghose规则: None
Lipinski规则: 0.0
Muegge规则: 0.0
Veber规则: 0.0
生物利用度评分: 0.55
Fraction Csp3: 0.16
LogP(Consensus): 3.71
LogP(MLOGP): 2.27
LogP(SILICOS-IT): 4.17
LogP(WLOGP): 5.9
LogP(XLOGP3): 4.25
LogP(iLOGP): 1.93
LogS(Ali): -5.98
LogS(ESOL): -5.1
LogS(SILICOS-IT): -8.2
TPSA: 96.34 Å²
XLogP3-AA计算的辛醇-水分配系数: 4.2 None
共价键单元数: 1 None
单同位素质量: 404.11185333
可旋转键数: 6 None
同位素原子数量: 0 None
复杂度: 619 None
定义的原子立体中心数: 0 None
定义的键立体中心数量: 0 None
形式电荷: 0 None
拓扑极性表面积: 96.3 Å²
摩尔折射率: 104.86
未定义原子立体中心数: 1 None
未定义键立体中心数量: 0 None
氢键供体数: 2.0
氢键供体数量: 2 None
氢键受体数: 7.0
氢键受体数量: 8 None
电荷: 0
皮肤渗透Log Kp: -5.75 cm/s
芳香重原子数: 18
重原子数: 28 None
外观性质: 白色至浅黄色固体

安全信息

安全说明

运输信息：冰袋运输。危险描述：非危险化学品。

生产及用途

用途与制备

化学合成。

词条详情加载中…

1610358-53-6 5-氟-4-(4-氟-2-甲氧基苯基)-N-(4-((S-甲基磺酰亚胺基)甲基)吡啶-2-基)吡啶-2-胺

中文名称

5-氟-4-(4-氟-2-甲氧基苯基)-N-(4-((S-甲基磺酰亚胺基)甲基)吡啶-2-基)吡啶-2-胺

英文名称

((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone

CAS号

分子式

C₁₉H₁₈F₂N₄O₂S

分子量

404.43

更新日期

2026-05-09