免疫配体 - 小分子和化合物库

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ML130 (Nodinitib-1),NOD1抑制剂
- ≥99%
CAS号 : 799264-47-4 Compound CID : 1088438

分子式: C₁₄H₁₃N₃O₂S 分子量: 287.34

IUPAC Name: 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N

InChIKey: SRFABRWQVPCPRG-UHFFFAOYSA-N

InChI: InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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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卡奈替尼 (CI-1033)
- ≥98%
CAS号 : 267243-28-7 Compound CID : 156414

分子式: C₂₄H₂₅ClFN₅O₃ 分子量: 485.94

IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide

SMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

InChIKey: OMZCMEYTWSXEPZ-UHFFFAOYSA-N

InChI: InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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Acalabrutinib (ACP-196)
- ≥98%
CAS号 : 1420477-60-6 Compound CID : 71226662

分子式: C₂₆H₂₃N₇O₂ 分子量: 465.51

IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

SMILES: CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

InChIKey: WDENQIQQYWYTPO-IBGZPJMESA-N

InChI: InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1
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GSK717
- 10mM in DMSO
CAS号 : 1595278-21-9(DMSO)

分子式: C₂₈H₂₈N₄O₂ 分子量: 452.5

SMILES: CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5
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GSK717
- ≥99%
CAS号 : 1595278-21-9 Compound CID : 102369397

分子式: C₂₈H₂₈N₄O₂ 分子量: 452.5

IUPAC Name: N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylbenzamide

SMILES: CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5

InChIKey: YDOATJUIIFWTKQ-UHFFFAOYSA-N

InChI: InChI=1S/C28H28N4O2/c1-31(28(34)21-8-3-2-4-9-21)17-16-26-30-24-12-5-6-13-25(24)32(26)19-27(33)29-23-15-14-20-10-7-11-22(20)18-23/h2-6,8-9,12-15,18H,7,10-11,16-17,19H2,1H3,(H,29,33)
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