免疫配体 - 小分子和化合物库

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PF06650833,IRAK4抑制剂
- ≥98%(HPLC)
CAS号 : 1817626-54-2 Compound CID : 118414016

分子式: C₁₈H₂₀FN₃O₄ 分子量: 361.37

IUPAC Name: 1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide

SMILES: CCC1C(NC(=O)C1F)COC2=NC=CC3=CC(=C(C=C32)OC)C(=O)N

InChIKey: JKDGKIBAOAFRPJ-ZBINZKHDSA-N

InChI: InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
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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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Tomivosertib (eFT-508)
- ≥97%
CAS号 : 1849590-01-7 Compound CID : 118598754

分子式: C₁₇H₂₀N₆O₂ 分子量: 340.38

IUPAC Name: 6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

SMILES: CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3

InChIKey: HKTBYUWLRDZAJK-UHFFFAOYSA-N

InChI: InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
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BAY-985
- ≥98%
CAS号 : 2409479-29-2 Compound CID : 145925685

分子式: C₂₇H₃₀F₃N₉O 分子量: 553.58

IUPAC Name: 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one

SMILES: CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CC(=NC=N4)N(C)C)N5CCN(CC5)C(=O)CC(F)(F)F

InChIKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-N

InChI: InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
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Emavusertib (CA-4948)
- ≥99%
CAS号 : 1801344-14-8 Compound CID : 118224491

分子式: C₂₄H₂₅N₇O₅ 分子量: 491.5

IUPAC Name: N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide

SMILES: CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CCC(C5)O)N=C(O4)N6CCOCC6

InChIKey: SJHNWSAWWOAWJH-MRXNPFEDSA-N

InChI: InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
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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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托米沃司替布(eFT-508)
- 10mM in DMSO
CAS号 : 1849590-01-7 Compound CID : 118598754

分子式: C₁₇H₂₀N₆O₂ 分子量: 340.38

IUPAC Name: 6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

SMILES: CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3

InChIKey: HKTBYUWLRDZAJK-UHFFFAOYSA-N

InChI: InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
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HS271
- 10mM in DMSO
CAS号 : 2410393-15-4(DMSO)

分子式: C₂₁H₂₄F₃N₅O₂ 分子量: 435.44

SMILES: CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCN(C)C)O
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HS271
- ≥99%
CAS号 : 2410393-15-4 Compound CID : 146386401

分子式: C₂₁H₂₄F₃N₅O₂ 分子量: 435.44

IUPAC Name: N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

SMILES: CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCN(C)C)O

InChIKey: QAOWCAZEVIIQTF-UHFFFAOYSA-N

InChI: InChI=1S/C21H24F3N5O2/c1-20(2,31)14-11-16-13(12-29(27-16)9-8-28(3)4)10-17(14)26-19(30)15-6-5-7-18(25-15)21(22,23)24/h5-7,10-12,31H,8-9H2,1-4H3,(H,26,30)
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PF-06426779
- ≥99%
CAS号 : 1817628-40-2 Compound CID : 118414536

分子式: C₁₇H₁₈FN₃O₄ 分子量: 347.34

IUPAC Name: 1-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide

SMILES: CC1C(NC(=O)C1F)COC2=NC=CC3=CC(=C(C=C32)OC)C(=O)N

InChIKey: GISRWBROCYNDME-PELMWDNLSA-N

InChI: InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1
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