2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile

• ChemBase编号: 155781
• 分子式: C19H16F3N3O
• 平均质量: 359.3450496
• 单一同位素质量: 359.12454681
• SMILES: CN(C)c1ccc2c(c1)OC(=C(C2c1cccc(c1)C(F)(F)F)C#N)N
• Canonical SMILES: N#CC1=C(N)Oc2c(C1c1cccc(c1)C(F)(F)F)ccc(c2)N(C)C
• InChI: InChI=1S/C19H16F3N3O/c1-25(2)13-6-7-14-16(9-13)26-18(24)15(10-23)17(14)11-4-3-5-12(8-11)19(20,21)22/h3-9,17H,24H2,1-2H3
• InChIKey: GVINXTXGDDSXFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
• IUPAC传统名: 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
• 别名: 2-Amino-3-cyano-7-dimethylamino-4-(3-trifluoromethylphenyl)-4H-chromene; 94G6; Chromeceptin

登记号

• CAS号: 331859-86-0
• MDL号: MFCD00815850
• PubChem SID: 162249919; 24724431
• PubChem CID: 3113922

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.0145144
• LogD (pH = 7.4): 4.0192356
• Log P: 4.019296
• 摩尔折射率: 103.4853 cm^3
• 极化性: 33.813618 Å^3
• 极化表面积: 62.28 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >20 mg/mL; H2O: <2 mg/mL
• 外观: yellow to brown solid

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C19H16F3N3O

详细说明

Sigma Aldrich - C0868

Biochem/physiol Actions
Chromeceptin inhibits Insulin-like growth factor 2 (IGF2) signaling by a process that begins with chromeceptin binding to multifunctional protein 2 (MFP-2). This interaction stimulates the expression of IGF binding protein 1 (IGFBP-1) and suppressor of cytokine signaling-3 (SOCS-3), both of which activate signal transducers and activators of transcription 6 (STAT6) to attenuate IGF signals.