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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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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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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CCR2 antagonist 3
- 10mM in DMSO
CAS号 : 1380100-86-6(DMSO)

分子式: C₁₇H₂₅FN₂O₂ 分子量: 308.39

SMILES: CC1=C(C=CC(=C1)C(=O)N(C)C(CN2CC(C2)O)C(C)C)F
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CCR2 antagonist 3
- ≥98%
CAS号 : 1380100-86-6 Compound CID : 57345449

分子式: C₁₇H₂₅FN₂O₂ 分子量: 308.39

IUPAC Name: 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide

SMILES: CC1=C(C=CC(=C1)C(=O)N(C)C(CN2CC(C2)O)C(C)C)F

InChIKey: GAHPWXLXWUVMIV-MRXNPFEDSA-N

InChI: InChI=1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1
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