免疫配体 - 小分子和化合物库

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R406（游离碱）
- ≥99%
CAS号 : 841290-80-0 Compound CID : 11213558

分子式: C₂₂H₂₃FN₆O₅ 分子量: 470.45

IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

InChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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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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来他替尼
- ≥98%
CAS号 : 111358-88-4 Compound CID : 126565

分子式: C₂₆H₂₁N₃O₄ 分子量: 439.46

IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N

InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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Takinib,TAK1/MAP3K7激酶抑制剂
- ≥98%(HPLC)
CAS号 : 1111556-37-6 Compound CID : 37750349

分子式: C₁₈H₁₈N₄O₂ 分子量: 322.37

IUPAC Name: 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide

SMILES: CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N

InChIKey: UOZVVPXKJGOFIG-UHFFFAOYSA-N

InChI: InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
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IRAK1 / 4抑制剂I
- ≥98%(HPLC)
CAS号 : 509093-47-4 Compound CID : 11983295

分子式: C₂₀H₂₁N₅O₄ 分子量: 395.41

IUPAC Name: N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide

SMILES: C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChIKey: QTCFYQHZJIIHBS-UHFFFAOYSA-N

InChI: InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)
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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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R406 (free base)
- 10mM in DMSO
CAS号 : 841290-80-0 Compound CID : 11213558

分子式: C₂₂H₂₃FN₆O₅ 分子量: 470.45

IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

InChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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Takinib
- 10mM in DMSO
CAS号 : 1111556-37-6 Compound CID : 37750349

分子式: C₁₈H₁₈N₄O₂ 分子量: 322.37

IUPAC Name: 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide

SMILES: CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N

InChIKey: UOZVVPXKJGOFIG-UHFFFAOYSA-N

InChI: InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
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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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