免疫配体 - 小分子和化合物库

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穿心莲内酯
CAS号 : 5508-58-7 Compound CID : 5318517

分子式: C₂₀H₃₀O₅ 分子量: 350.45

IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O

InChIKey: BOJKULTULYSRAS-OTESTREVSA-N

InChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
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穿心莲内酯
- ≥98%
CAS号 : 5508-58-7 Compound CID : 5318517

分子式: C₂₀H₃₀O₅ 分子量: 350.45

IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O

InChIKey: BOJKULTULYSRAS-OTESTREVSA-N

InChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
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PH-797804,ATP竞争性p38α抑制剂
- ≥98%
CAS号 : 586379-66-0 Compound CID : 22049997

分子式: C₂₂H₁₉BrF₂N₂O₃ 分子量: 477.3

IUPAC Name: 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C

InChIKey: KCAJXIDMCNPGHZ-UHFFFAOYSA-N

InChI: InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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SB 202190,p38 MAPK抑制剂
- ≥99%
CAS号 : 152121-30-7 Compound CID : 5169

分子式: C₂₀H₁₄FN₃O 分子量: 331.34

IUPAC Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

SMILES: C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O

InChIKey: QHKYPYXTTXKZST-UHFFFAOYSA-N

InChI: InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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TAK-715
- ≥99%
CAS号 : 303162-79-0 Compound CID : 9952773

分子式: C₂₄H₂₁N₃OS 分子量: 399.51

IUPAC Name: N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide

SMILES: CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C

InChIKey: HEKAIDKUDLCBRU-UHFFFAOYSA-N

InChI: InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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VX-745,p38 alpha MAPK抑制剂
- ≥98%
CAS号 : 209410-46-8 Compound CID : 3038525

分子式: C₁₉H₉Cl₂F₂N₃OS 分子量: 436.27

IUPAC Name: 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one

SMILES: C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl

InChIKey: VEPKQEUBKLEPRA-UHFFFAOYSA-N

InChI: InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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达马莫德
- ≥99%
CAS号 : 285983-48-4 Compound CID : 156422

分子式: C₃₁H₃₇N₅O₃ 分子量: 527.67

IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

InChI: InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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Losmapimod
- ≥98%
CAS号 : 585543-15-3 Compound CID : 11552706

分子式: C₂₂H₂₆FN₃O₂ 分子量: 383.46

IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide

SMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C

InChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-N

InChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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Ro 32-3555
- ≥97%
CAS号 : 190648-49-8 Compound CID : 9824350

分子式: C₂₂H₃₆N₄O₅ 分子量: 436.55

IUPAC Name: (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide

SMILES: CC1(C(=O)N(C(=O)N1C)CC(C(CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C

InChIKey: GFUITADOEPNRML-SJORKVTESA-N

InChI: InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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SCIO 469盐酸盐
CAS号 : 309913-83-5 Compound CID : 9871074

分子式: C₂₇H₃₀ClFN₄O₃・HCl 分子量: 549.46

IUPAC Name: 2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

SMILES: CC1CN(C(CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F

InChIKey: ZMELOYOKMZBMRB-DLBZAZTESA-N

InChI: InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
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帕马皮莫德
- ≥99%
CAS号 : 449811-01-2 Compound CID : 16220188

分子式: C₁₉H₂₀F₂N₄O₄ 分子量: 406.38

IUPAC Name: 6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

SMILES: CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC(CCO)CCO

InChIKey: JYYLVUFNAHSSFE-UHFFFAOYSA-N

InChI: InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)
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Losmapimod
- 10mM in DMSO
CAS号 : 585543-15-3 Compound CID : 11552706

分子式: C₂₂H₂₆FN₃O₂ 分子量: 383.46

IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide

SMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C

InChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-N

InChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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