免疫配体 - 小分子和化合物库

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依鲁替尼 (PCI-32765)
- ≥98%
CAS号 : 936563-96-1 Compound CID : 24821094

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5

IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N

InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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沃替西汀
- ≥98%
CAS号 : 508233-74-7 Compound CID : 9966051

分子式: C₁₈H₂₂N₂S 分子量: 298.45

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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伯舒替尼 (SKI-606)
- ≥99%
CAS号 : 380843-75-4 Compound CID : 5328940

分子式: C₂₆H₂₉Cl₂N₅O₃ 分子量: 530.45

IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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卡奈替尼 (CI-1033)
- ≥98%
CAS号 : 267243-28-7 Compound CID : 156414

分子式: C₂₄H₂₅ClFN₅O₃ 分子量: 485.94

IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide

SMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

InChIKey: OMZCMEYTWSXEPZ-UHFFFAOYSA-N

InChI: InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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伊马替尼
- ≥99%
CAS号 : 152459-95-5 Compound CID : 5291

分子式: C₂₉H₃₁N₇O 分子量: 493.6

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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AN-2728,PDE4和cytokine释放抑制剂
- ≥98%
CAS号 : 906673-24-3 Compound CID : 44591583

分子式: C₁₄H₁₀BNO₃ 分子量: 251.05

IUPAC Name: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile

SMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O

InChIKey: USZAGAREISWJDP-UHFFFAOYSA-N

InChI: InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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氟伏沙明
- ≥98%
CAS号 : 54739-18-3 Compound CID : 5324346

分子式: C₁₅H₂₁F₃N₂O₂ 分子量: 318.33

IUPAC Name: 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

SMILES: COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F

InChIKey: CJOFXWAVKWHTFT-XSFVSMFZSA-N

InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
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Acalabrutinib (ACP-196)
- ≥98%
CAS号 : 1420477-60-6 Compound CID : 71226662

分子式: C₂₆H₂₃N₇O₂ 分子量: 465.51

IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

SMILES: CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

InChIKey: WDENQIQQYWYTPO-IBGZPJMESA-N

InChI: InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1
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Zanubrutinib (BGB-3111)
- ≥98%
CAS号 : 1691249-45-2 Compound CID : 135565884

分子式: C₂₇H₂₉N₅O₃ 分子量: 471.55

IUPAC Name: (7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES: C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N

InChIKey: RNOAOAWBMHREKO-QFIPXVFZSA-N

InChI: InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1
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Vortioxetine
- 10mM in DMSO
CAS号 : 508233-74-7 Compound CID : 9966051

分子式: C₁₈H₂₂N₂S 分子量: 298.45

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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扎努鲁替尼(BGB-3111)
- 10mM in DMSO
CAS号 : 1691249-45-2 Compound CID : 135565884

分子式: C₂₇H₂₉N₅O₃ 分子量: 471.55

IUPAC Name: (7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES: C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N

InChIKey: RNOAOAWBMHREKO-QFIPXVFZSA-N

InChI: InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1
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