激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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VUF 11222,非肽CXCR3激动剂
- ≥98%
CAS号 : 1414376-84-3 Compound CID : 71459294

分子式: C₂₅H₃₁BrIN 分子量: 552.33

IUPAC Name: [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium;iodide

SMILES: CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]

InChIKey: IXXWHYDKYNWDKJ-IUQUCOCYSA-M

InChI: InChI=1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1
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AZD4547
- 10mM in DMSO
CAS号 : 1035270-39-3(DMSO)

分子式: C₂₆H₃₃N₅O₃ 分子量: 463.57

SMILES: COC1=CC(=CC(=C1)OC)CCC2=CC(=N[NH]2)NC(=O)C3=CC=C(C=C3)N4CC(C)NC(C)C4
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Erdafitinib (JNJ-42756493)
- 10mM in DMSO
CAS号 : 1346242-81-6(DMSO)

分子式: C₂₅H₃₀N₆O₂ 分子量: 446.54

SMILES: COC1=CC(=CC(=C1)N(CCNC(C)C)C2=CC3=NC(=CN=C3C=C2)C4=C[N](C)N=C4)OC
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Nintedanib (BIBF 1120)
- 10mM in DMSO
CAS号 : 656247-17-5(DMSO)

分子式: C₃₁H₃₃N₅O₄ 分子量: 539.62

SMILES: COC(=O)C1=CC=C\2C(=C1)NC(=O)C2=C(NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)/C5=CC=CC=C5
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Ponatinib (AP24534)
- 10mM in DMSO
CAS号 : 943319-70-8(DMSO)

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.56

SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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TAE684 (NVP-TAE684)
- 2mM in DMSO
CAS号 : 761439-42-3(DMSO)

分子式: C₃₀H₄₀ClN₇O₃S 分子量: 614.2

SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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AMG 487
- ≥98%
CAS号 : 473719-41-4 Compound CID : 24957182

分子式: C₃₂H₂₈F₃N₅O₄ 分子量: 603.59

IUPAC Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F

InChIKey: WQTKNBPCJKRYPA-OAQYLSRUSA-N

InChI: InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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AMG 487
- 10mM in DMSO
CAS号 : 473719-41-4 Compound CID : 24957182

分子式: C₃₂H₂₈F₃N₅O₄ 分子量: 603.59

IUPAC Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F

InChIKey: WQTKNBPCJKRYPA-OAQYLSRUSA-N

InChI: InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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BLU-9931
- 2mM in DMSO
CAS号 : 1538604-68-0 Compound CID : 72710839

分子式: C₂₆H₂₂Cl₂N4O₃ 分子量: 509.384

IUPAC Name: N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide

SMILES: CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(C=CC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl

InChIKey: TXEBNKKOLVBTFK-UHFFFAOYSA-N

InChI: InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)
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BGJ398 (NVP-BGJ398)
- 10mM in DMSO
CAS号 : 872511-34-7 Compound CID : 53235510

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: 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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CH5183284 (Debio-1347)
- 10mM in DMSO
CAS号 : 1265229-25-1 Compound CID : 66555680

分子式: C₂₀H₁₆N₆O 分子量: 356.38

IUPAC Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

SMILES: CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N

InChIKey: BEMNJULZEQTDJY-UHFFFAOYSA-N

InChI: InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
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Futibatinib
- 10mM in DMSO
CAS号 : 1448169-71-8 Compound CID : 71621331

分子式: C₂₂H₂₂N₆O₃ 分子量: 418.45

IUPAC Name: 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one

SMILES: COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)C4CCN(C4)C(=O)C=C)OC

InChIKey: KEIPNCCJPRMIAX-HNNXBMFYSA-N

InChI: InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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