配体家族 - 小分子和化合物库

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SA 57,FAAH抑制剂
- ≥98%
CAS号: 1346169-63-8 Compound CID : 44589122

分子式: C₁₇H₂₃ClN₂O₃ 分子量: 338.83

IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

SMILES: CNC(=O)COC(=O)N1CCC(CC1)CCC2=CC=C(C=C2)Cl

InChIKey: JFSSVCSHPDLFCM-UHFFFAOYSA-N

InChI: 1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)
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NF 1819,MAGL抑制剂
- ≥98%(HPLC)
CAS号: 1881244-28-5 Compound CID : 127032456

分子式: C₂₄H₂₂FN₅O₄ 分子量: 463.46

IUPAC Name: (3R,4S)-4-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one

SMILES: C1CN(CCC1N2C(C(C2=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)N6C=NC=N6

InChIKey: XRIROGBLGLPXQI-FGZHOGPDSA-N

InChI: 1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1
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KML 29,MAGL抑制剂
- ≥96%
CAS号: 1380424-42-9

分子式: C₂₄H₂₁F₆NO₇ 分子量: 549.42

IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate

SMILES: C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC(C(F)(F)F)C(F)(F)F

InChIKey: SXHQLPHDBLTFPM-UHFFFAOYSA-N

InChI: 1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2
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JZP 361,可逆MAGL抑制剂
- ≥98%
CAS号: 1680193-80-9

分子式: C₂₂H₂₀ClN₅O 分子量: 405.88

IUPAC Name: [4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone

SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)C(=O)N4C=NC=N4)C5=C1C=CC=N5

InChIKey: GAVZCGTYRWKKDV-UHFFFAOYSA-N

InChI: 1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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JW 642,MAGL抑制剂
- ≥98%(HPLC)
CAS号: 1416133-89-5

分子式: C₂₁H₂₀F₆N₂O₃ 分子量: 462.39

IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate

SMILES: C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C(F)(F)F)C(F)(F)F

InChIKey: AVSCNEOUWSVZEY-UHFFFAOYSA-N

InChI: 1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
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JJKK 048,MAGL抑制剂
- ≥98%(HPLC)
CAS号: 1515855-97-6

分子式: C₂₃H₂₂N₄O₅ 分子量: 434.44

IUPAC Name: [4-[bis(1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone

SMILES: C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)N6C=NC=N6

InChIKey: CLSNATLUIXZPMV-UHFFFAOYSA-N

InChI: 1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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二硫化四乙基秋兰姆（TETD）
- 10mM in DMSO
CAS号: 97-77-8 EC号: 202-607-8

分子式: C₁₀H₂₀N₂S₄ 分子量: 296.54
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AM211
- 10mM in DMSO
CAS号: 1175526-27-8 Compound CID : 44158492

分子式: C₂₇H₂₇F₃N₂O₄ 分子量: 500.51
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JNJ-42226314
- 10mM in DMSO
CAS号: 1252765-13-1 Compound CID : 59625954

分子式: C₂₆H₂₄FN₅O₂S 分子量: 489.56
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JNJ-42226314
- ≥99%
CAS号: 1252765-13-1 Compound CID : 59625954

分子式: C₂₆H₂₄FN₅O₂S 分子量: 489.56

IUPAC Name: [1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

SMILES: C1CN(CCN1C2CN(C2)C(=O)C3=CC4=C(C=C3)N(C=C4)C5=CC=C(C=C5)F)C(=O)C6=NC=CS6

InChIKey: IVOACCSOISMVBL-UHFFFAOYSA-N

InChI: 1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2
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MAGL-IN-5
- ≥99%
CAS号: 359714-55-9 Compound CID : 9924775

分子式: C₁₈H₁₇N₃O₅ 分子量: 355.34

IUPAC Name: benzyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]carbamate

SMILES: CC1=C(C=CC(=C1)N2C(=O)OC(=N2)OC)NC(=O)OCC3=CC=CC=C3

InChIKey: QTENHWTVRQKWRI-UHFFFAOYSA-N

InChI: 1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
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MAGL-IN-1
- ≥99%
CAS号: 2324160-91-8 Compound CID : 138319671

分子式: C₂₂H₂₄FNO₃ 分子量: 369.43

IUPAC Name: [1-(2-fluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

SMILES: CC(C)C1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)O)F

InChIKey: WUUBZNFATQKRPH-UHFFFAOYSA-N

InChI: 1S/C22H24FNO3/c1-14(2)15-3-5-16(6-4-15)21(26)17-9-11-24(12-10-17)22(27)19-13-18(25)7-8-20(19)23/h3-8,13-14,17,25H,9-12H2,1-2H3
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