配体家族 - 小分子和化合物库

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A 286982,LFA-1 / ICAM-1相互作用的有效抑制剂
- ≥98%
CAS号: 280749-17-9

分子式: C₂₄H₂₇N₃O₄S 分子量: 453.55

IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one

SMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-N

InChI: 1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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A 286982
- 10mM in DMSO
CAS号: 280749-17-9

分子式: C₂₄H₂₇N₃O₄S 分子量: 453.55

IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one

SMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-N

InChI: 1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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JTT 551
- 10mM in DMSO
CAS号: 776309-04-7 Compound CID : 23080446

分子式: C₃₄H₄₃N₃O₃S₂ 分子量: 605.85
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ICAM-1-IN-1
- 10mM in DMSO
CAS号: 251994-14-6 Compound CID : 10361323

分子式: C₁₅H₁₁BrN₂O₂S 分子量: 363.23
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JTT 551
- ≥99%
CAS号: 776309-04-7 Compound CID : 23080446

分子式: C₃₄H₄₃N₃O₃S₂ 分子量: 605.85

IUPAC Name: 2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid

SMILES: CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O

InChIKey: FKGBFRNVTCFMGU-UHFFFAOYSA-N

InChI: 1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39)
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PTP1B-IN-3
CAS号: 809272-64-8 Compound CID : 24857885

分子式: C₁₂H₇BrF₂NO₃P 分子量: 396.12

IUPAC Name: [(3-bromo-7-cyanonaphthalen-2-yl)-difluoromethyl]phosphonic acid

SMILES: C1=CC2=CC(=C(C=C2C=C1C#N)C(F)(F)P(=O)(O)O)Br

InChIKey: BWJOQFMMTKEZGA-UHFFFAOYSA-N

InChI: 1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)

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ICAM-1-IN-1
- ≥99%
CAS号: 251994-14-6 Compound CID : 10361323

分子式: C₁₅H₁₁BrN₂O₂S 分子量: 363.23

IUPAC Name: 4-(4-bromophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide

SMILES: CNC(=O)C1=CC2=C(S1)C=NC=C2OC3=CC=C(C=C3)Br

InChIKey: OFXAEWYLVPBGGU-UHFFFAOYSA-N

InChI: 1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
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Ertiprotafib
- ≥98%
CAS号: 251303-04-5 Compound CID : 157049

分子式: C₃₁H₂₇BrO₃S 分子量: 559.51

IUPAC Name: (2R)-2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid

SMILES: CC1=CC(=CC(=C1OC(CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C

InChIKey: FONCZICQWCUXEB-RUZDIDTESA-N

InChI: 1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1
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