配体家族 - 小分子和化合物库

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马替普林盐酸盐

规格或纯度 :

≥99%(HPLC)

CAS号: 10347-81-6

分子式: C₂₀H₂₃N·HCl 分子量: 313.86

IUPAC Name: N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine;hydrochloride

SMILES: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl

InChIKey: NZDMFGKECODQRY-UHFFFAOYSA-N

InChI: 1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H

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卡巴克洛

规格或纯度 :

≥99%(HPLC)

CAS号: 69-81-8 Compound CID : 2557

分子式: C₁₀H₁₂N₄O₃ 分子量: 236.23

IUPAC Name: (3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)iminourea

SMILES: CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O

InChIKey: SSCSSDNTQJGTJT-UHFFFAOYSA-N

InChI: 1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,15-16H,4H2,1H3,(H2,11,17)

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氟马西尼

规格或纯度 :

Moligand™

≥99%(HPLC)

CAS号: 78755-81-4 EC号: 616-650-9

分子式: C₁₅H₁₄FN₃O₃ 分子量: 303.29

IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

InChIKey: OFBIFZUFASYYRE-UHFFFAOYSA-N

InChI: 1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

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阿加曲班单水合物

规格或纯度 :

≥99%(HPLC)

CAS号: 141396-28-3 Compound CID : 92721

分子式: C23H36N6O5S·H2O 分子量: 508.64

IUPAC Name: (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate

SMILES: CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O

InChIKey: AIEZTKLTLCMZIA-CZSXTPSTSA-N

InChI: 1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-See more

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WAY 170523,MMP-13的有效抑制剂

规格或纯度 :

Moligand™

≥99%(HPLC)

CAS号: 307002-73-9 Compound CID : 9830392

分子式: C₃₃H₃₁N₃O₇S 分子量: 613.68

IUPAC Name: N-[2-[4-[benzyl-[2-(hydroxycarbamoyl)-4,6-dimethylphenyl]sulfamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide

SMILES: CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C

InChIKey: FARMEEAGJWMFSZ-UHFFFAOYSA-N

InChI: 1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,3See more

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琥珀酸瓦他拉尼

规格或纯度 :

≥99%(HPLC)

CAS号: 212142-18-2 Compound CID : 151193

分子式: C₂₀H₁₅ClN₄•C₄H₆O₄ 分子量: 464.90

IUPAC Name: butanedioic acid;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

SMILES: C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.C(CC(=O)O)C(=O)O

InChIKey: LLDWLPRYLVPDTG-UHFFFAOYSA-N

InChI: 1S/C20H15ClN4.C4H6O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;5-3(6)1-2-4(7)8/h1-12H,13H2,(H,23,25);1-2H2,(H,5,6)(H,7,8)

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UNC 2327,PRMT3的变构抑制剂

规格或纯度 :

≥99%(HPLC)

CAS号: 1426152-53-5 Compound CID : 71583615

分子式: C₁₄H₁₇N₅O₂S 分子量: 319.38

IUPAC Name: 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-piperidin-1-ylethyl)urea

SMILES: C1CCN(CC1)C(=O)CNC(=O)NC2=CC3=C(C=C2)N=NS3

InChIKey: MYTRGTBDVGKKRO-UHFFFAOYSA-N

InChI: 1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)

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盐酸西卡唑酯

规格或纯度 :

≥99%(HPLC)

CAS号: 1135210-68-2 Compound CID : 24871267

分子式: C₁₆H₂₅ClN₄O₂ 分子量: 340.85

IUPAC Name: ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride

SMILES: CCCCNC1=C2C=NN(C2=NC(=C1C(=O)OCC)C)CC.Cl

InChIKey: TUIXDPUEMQXVHO-UHFFFAOYSA-N

InChI: 1S/C16H24N4O2.ClH/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3;/h10H,5-9H2,1-4H3,(H,17,19);1H

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Tetrindole mesylate,MAO-A抑制剂

规格或纯度 :

≥99%(HPLC)

CAS号: 170964-68-8 Compound CID : 54792409

分子式: C₂₀H₂₆N₂.CH₃SO₃H 分子量: 390.54

IUPAC Name: 12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;methanesulfonic acid

SMILES: CS(=O)(=O)O.C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5

InChIKey: CWPNPYVNPOAMHY-UHFFFAOYSA-N

InChI: 1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4)

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TCS 2002,GSK-3β抑制剂

规格或纯度 :

≥99%(HPLC)

CAS号: 1005201-24-0 Compound CID : 24855958

分子式: C₁₈H₁₄N₂O₃S 分子量: 338.38

IUPAC Name: 2-methyl-5-[3-(4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole

SMILES: CC1=NN=C(O1)C2=CC3=C(C=C2)OC=C3C4=CC=C(C=C4)S(=O)C

InChIKey: RCKYSTKYIVULEK-UHFFFAOYSA-N

InChI: 1S/C18H14N2O3S/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3

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TC-F 2,可逆FAAH抑制剂

规格或纯度 :

≥99%(HPLC)

CAS号: 1304778-15-1 Compound CID : 25198728

分子式: C₂₆H₂₅N₅O₂ 分子量: 439.51

IUPAC Name: 1-[(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-ethylbenzimidazol-2-one

SMILES: CCN1C2=CC=CC=C2N(C1=O)C3CCCN(C3)C4=NC=CC(=N4)C5=CC6=CC=CC=C6O5

InChIKey: NXTBLPPTZRPJCA-IBGZPJMESA-N

InChI: 1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1

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