免疫配体 - 小分子和化合物库

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BX 471,CCR1拮抗剂
- ≥98%(HPLC)
CAS号 : 217645-70-0 Compound CID : 512282

分子式: C₂₁H₂₄ClFN₄O₃ 分子量: 434.89

IUPAC Name: [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea

SMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F

InChIKey: XQYASZNUFDVMFH-CQSZACIVSA-N

InChI: InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
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BX471 hydrochloride
- 10mM in DMSO
CAS号 : 288262-96-4(DMSO)

分子式: C₂₁H₂₅Cl₂FN₄O₃ 分子量: 471.3

SMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F.Cl
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K777
- 10mM in DMSO
CAS号 : 233277-99-1(DMSO)

分子式: C₃₂H₃₈N₄O₄S 分子量: 574.73

SMILES: CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=CC=C4
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BI 639667
- ≥99%
- 10mM in DMSO
CAS号 : 1295298-26-8(DMSO)

分子式: C₂₂H₁₈FN₅O₃S 分子量: 451.47

SMILES: CS(=O)(=O)C1=NC=CC(=C1)C2(CC2)NC(=O)C3=CN=CC4=C3C=NN4C5=CC=C(C=C5)F
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CCX354
- ≥98%
CAS号 : 1010073-75-2 Compound CID : 135565361

分子式: C₂₂H₂₂ClN₇O₂ 分子量: 451.91

IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone

SMILES: COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C(=N3)C5=NC=CN5)Cl

InChIKey: ZIMLRKWQDLVPEK-UHFFFAOYSA-N

InChI: InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
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CCR1 antagonist 9
- ≥99%
CAS号 : 1220026-26-5 Compound CID : 59278314

分子式: C₂₀H₁₆FN₅O₃S 分子量: 425.44

IUPAC Name: 1-(4-fluorophenyl)-N-[(2-methylsulfonylpyridin-4-yl)methyl]pyrazolo[3,4-c]pyridine-4-carboxamide

SMILES: CS(=O)(=O)C1=NC=CC(=C1)CNC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F

InChIKey: DCHROQCNJDJPGN-UHFFFAOYSA-N

InChI: InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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K777
- ≥99%
CAS号 : 233277-99-1 Compound CID : 9851116

分子式: C₃₂H₃₈N₄O₄S 分子量: 574.73

IUPAC Name: N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide

SMILES: CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=CC=C4

InChIKey: RHJLQMVZXQKJKB-FPHSVDBKSA-N

InChI: InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1
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BI 639667
- ≥98%
CAS号 : 1295298-26-8 Compound CID : 52916803

分子式: C₂₂H₁₈FN₅O₃S 分子量: 451.47

IUPAC Name: 1-(4-fluorophenyl)-N-[1-(2-methylsulfonylpyridin-4-yl)cyclopropyl]pyrazolo[3,4-c]pyridine-4-carboxamide

SMILES: CS(=O)(=O)C1=NC=CC(=C1)C2(CC2)NC(=O)C3=CN=CC4=C3C=NN4C5=CC=C(C=C5)F

InChIKey: PXQATVYJKMMHAU-UHFFFAOYSA-N

InChI: InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
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BX471 hydrochloride
- ≥99%
CAS号 : 288262-96-4 Compound CID : 5311124

分子式: C₂₁H₂₅Cl₂FN₄O₃ 分子量: 471.3

IUPAC Name: [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea;hydrochloride

SMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F.Cl

InChIKey: FRUCNQBAWUHKLS-PFEQFJNWSA-N

InChI: InChI=1S/C21H24ClFN4O3.ClH/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29;/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29);1H/t14-;/m1./s1
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CCR1 antagonist 9
- 10mM in DMSO
CAS号 : 1220026-26-5(DMSO)

分子式: C₂₀H₁₆FN₅O₃S 分子量: 425.44

SMILES: CS(=O)(=O)C1=NC=CC(=C1)CNC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F
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