配体家族 - 小分子和化合物库

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TMI 1
- ≥98%(HPLC)
CAS号: 287403-39-8 Compound CID : 5288615

分子式: C₁₇H₂₂N₂O₅S₂ 分子量: 398.49

IUPAC Name: (3S)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide

SMILES: CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

InChIKey: CVZIHNYAZLXRRS-HNNXBMFYSA-N

InChI: 1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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TC-A 2317 盐酸盐
- ≥98%(HPLC)
CAS号: 1245907-03-2 Compound CID : 46911725

分子式: C₁₉H₂₈N₆O.HCl 分子量: 392.93

IUPAC Name: 2-[(6-hydroxy-6-methylheptan-2-yl)amino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile;hydrochloride

SMILES: CC1=CC(=NC(=C1C#N)NC(C)CCCC(C)(C)O)NC2=NNC(=C2)C.Cl

InChIKey: DXVATYHPJJPMIN-UHFFFAOYSA-N

InChI: 1S/C19H28N6O.ClH/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26;/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25);1H
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PD 180970,p210Bcr / Ablkinase抑制剂
- ≥98%(HPLC)
CAS号: 287204-45-9 Compound CID : 5311104

分子式: C₂₁H₁₅Cl₂FN₄O 分子量: 429.27

IUPAC Name: 6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

SMILES: CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F

InChIKey: SLCFEJAMCRLYRG-UHFFFAOYSA-N

InChI: 1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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PD 166793,广谱MMP抑制剂
- ≥99%(HPLC)
CAS号: 199850-67-4 Compound CID : 9887870

分子式: C₁₇H₁₈BrNO₄S 分子量: 412.3

IUPAC Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid

SMILES: CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChIKey: GJOCABIDMCKCEG-INIZCTEOSA-N

InChI: 1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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ARP 100,MMP-2的抑制剂
- ≥97%
CAS号: 704888-90-4

分子式: C₁₇H₂₀N₂O₅S 分子量: 364.42

IUPAC Name: N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]acetamide

SMILES: CC(C)ON(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChIKey: PHGLPDURIUEELR-UHFFFAOYSA-N

InChI: 1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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ARP 101，MMP-2抑制剂
- ≥96%
CAS号: 849773-63-3

分子式: C₂₀H₂₆N₂O₅S 分子量: 406.5

IUPAC Name: (2R)-N-hydroxy-3-methyl-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide

SMILES: CC(C)C(C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChIKey: DGZZVIWCMGVHGV-LJQANCHMSA-N

InChI: 1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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Ibrutinib (PCI-32765)
- 10mM in DMSO
CAS号: 936563-96-1

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5
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ARP 100
- 10mM in DMSO
CAS号: 704888-90-4

分子式: C₁₇H₂₀N₂O₅S 分子量: 364.42

IUPAC Name: N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]acetamide

SMILES: CC(C)ON(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChIKey: PHGLPDURIUEELR-UHFFFAOYSA-N

InChI: 1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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SM1-71
- 10mM in DMSO
CAS号: 2088179-99-9 Compound CID : 131801160

分子式: C₂₄H₂₆ClN₇O 分子量: 463.96
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SM1-71
- ≥96%
CAS号: 2088179-99-9 Compound CID : 131801160

分子式: C₂₄H₂₆ClN₇O 分子量: 463.96

IUPAC Name: N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl

InChIKey: SCMLGVPMSXTUNC-UHFFFAOYSA-N

InChI: 1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
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MMP3 inhibitor 1
CAS号: 312930-75-9 Compound CID : 9956699

分子式: C₂₃H₃₁N₃O₆S 分子量: 477.57

IUPAC Name: N-hydroxy-2-[4-[4-[6-(2-hydroxyethoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanamide

SMILES: CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)NO)C3=NC(=CC=C3)OCCO

InChIKey: YVBOXQAMDNUBQA-UHFFFAOYSA-N

InChI: 1S/C23H31N3O6S/c1-16-15-18(7-8-19(16)20-5-4-6-21(24-20)32-14-13-27)17-9-11-26(12-10-17)33(30,31)23(2,3)22(28)25-29/h4-8,15,17,27,29H,9-14H2,1-3H3,(H,25,28)

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S 3304
- ≥97%
CAS号: 203640-27-1 Compound CID : 10718956

分子式: C₂₄H₂₀N₂O₄S₂ 分子量: 464.6

IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid

SMILES: CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChIKey: YWCLDDLVLSQGSZ-JOCHJYFZSA-N

InChI: 1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
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