FDA批准的配体 - 小分子和化合物库

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BGJ398 (NVP-BGJ398),FGFR抑制剂
- ≥98%
CAS号: 872511-34-7

分子式: C₂₆H₃₁Cl₂N₇O₃ 分子量: 560.48

IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea

SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl

InChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-N

InChI: 1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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尼达尼布 (BIBF 1120)
- ≥98%
CAS号: 656247-17-5

分子式: C₃₁H₃₃N₅O₄ 分子量: 539.62

IUPAC Name: methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O

InChIKey: CPMDPSXJELVGJG-UHFFFAOYSA-N

InChI: 1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3
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普纳替尼 (AP24534)
- ≥99%
CAS号: 943319-70-8

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: 1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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炔雌醇
- ≥98%
CAS号: 57-63-6 EC号: 200-342-2

分子式: C₂₀H₂₄O₂ 分子量: 296.4

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI: 1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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氟西汀
- ≥99%
CAS号: 54910-89-3

分子式: C₁₇H₁₈F₃NO 分子量: 309.33

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

InChI: 1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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氯丙嗪
- ≥95%
CAS号: 50-53-3

分子式: C₁₇H₁₉ClN₂S 分子量: 318.9

IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N

InChI: 1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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多巴胺
CAS号: 51-61-6

分子式: C₈H₁₁NO₂ 分子量: 153.18

IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol

SMILES: C1=CC(=C(C=C1CCN)O)O

InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N

InChI: 1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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帕罗西汀
- ≥97%
CAS号: 61869-08-7 Compound CID : 43815

分子式: C₁₉H₂₀FNO₃ 分子量: 329.37

IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N

InChI: 1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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Lofepramine,抑制剂
- ≥97%
CAS号: 23047-25-8

分子式: C₂₆H₂₇ClN₂O 分子量: 418.97

IUPAC Name: 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone

SMILES: CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl

InChIKey: SAPNXPWPAUFAJU-UHFFFAOYSA-N

InChI: 1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
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D，L-文拉法辛
- ≥98%
CAS号: 93413-69-5

分子式: C₁₇H₂₇NO₂ 分子量: 277.4

IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

SMILES: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O

InChIKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N

InChI: 1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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度洛西汀
- ≥99%
CAS号: 116539-59-4

分子式: C₁₈H₁₉NOS 分子量: 297.42

IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

SMILES: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32

InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-N

InChI: 1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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诺米芬辛
- ≥97%
CAS号: 24526-64-5

分子式: C₁₆H₁₈N₂ 分子量: 238.33

IUPAC Name: 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

SMILES: CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3

InChIKey: XXPANQJNYNUNES-UHFFFAOYSA-N

InChI: 1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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