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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齐留通(Zileuton)
- ≥98%(HPLC)
CAS号 : 111406-87-2 Compound CID : 60490

分子式: C₁₁H₁₂N₂O₂S 分子量: 236.29

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

SMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

InChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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MK886,脂氧合酶抑制剂
- ≥98%
CAS号 : 118414-82-7 Compound CID : 3651377

分子式: C₂₇H₃₄ClNO₂S 分子量: 472.08

IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

InChIKey: QAOAOVKBIIKRNL-UHFFFAOYSA-N

InChI: InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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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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MK886
- 10mM in DMSO
CAS号 : 118414-82-7 Compound CID : 3651377

分子式: C₂₇H₃₄ClNO₂S 分子量: 472.08

IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

InChIKey: QAOAOVKBIIKRNL-UHFFFAOYSA-N

InChI: InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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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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Atuliflapon
- 10mM in DMSO
CAS号 : 2041075-86-7(DMSO)

分子式: C₂₄H₂₆N₆O₃ 分子量: 446.50

SMILES: CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)C3CCCCC3C(=O)NC4=C5C(=O)NCCN5N=C4
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Diflapolin
- 10mM in DMSO
CAS号 : 724453-98-9(DMSO)

分子式: C₂₂H₁₇Cl₂N₃O₂S 分子量: 458.4

SMILES: CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl
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