配体家族 - 小分子和化合物库

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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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托吡卡胺
- ≥99%
CAS号: 1508-75-4 EC号: 216-140-2 Compound CID : 5593

分子式: C₁₇H₂₀N₂O₂ 分子量: 284.35

IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-N

InChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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甘罗溴铵
- ≥98%(HPLC)
CAS号: 596-51-0 EC号: 209-887-0

分子式: C₁₉H₂₈NO₃·Br 分子量: 398.33

IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide

SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-M

InChI: 1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
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苄索氯铵
- ≥97%
CAS号: 121-54-0 EC号: 204-479-9

分子式: C₂₇H₄₂ClNO₂ 分子量: 448.08

IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride

SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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脱羧氯雷他定
- ≥98%(HPLC)(T)
CAS号: 100643-71-8

分子式: C₁₉H₁₉ClN₂ 分子量: 310.83

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

SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4

InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N

InChI: 1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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AGK2,sirtuin2（SIRT2）抑制剂
- ≥98%
CAS号: 304896-28-4

分子式: C₂₃H₁₃Cl₂N₃O₂ 分子量: 434.27

IUPAC Name: (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide

SMILES: C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N

InChIKey: SVENPFFEMUOOGK-SDNWHVSQSA-N

InChI: 1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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SIRT5 inhibitor 1
- 10mM in DMSO
CAS号: 2166487-21-2 Compound CID : 134828254

分子式: C₃₁H₃₉FN₆O₆S₂ 分子量: 674.8
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Sirt2-IN-1
- 10mM in DMSO
CAS号: 1862238-00-3 Compound CID : 112499922

分子式: C₂₈H₂₇N₇O₂S₂ 分子量: 557.69
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Mepazine
- ≥99%
CAS号: 60-89-9

分子式: C₁₉H₂₂N₂S 分子量: 310.46

IUPAC Name: 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine

SMILES: CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChIKey: CBHCDHNUZWWAPP-UHFFFAOYSA-N

InChI: 1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
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Sirt2-IN-1
- ≥98%
CAS号: 1862238-00-3 Compound CID : 112499922

分子式: C₂₈H₂₇N₇O₂S₂ 分子量: 557.69

IUPAC Name: N-[5-[[3-[(1-benzyltriazol-4-yl)methoxy]phenyl]methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CC5=CC=CC=C5)C

InChIKey: YWLNYZXFIAFWSF-UHFFFAOYSA-N

InChI: 1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36)
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PROTAC Sirt2 Degrader-1
- ≥98%
CAS号: 2098487-75-1 Compound CID : 135397670

分子式: C₄₀H₄₀N₁₀O₈S₂ 分子量: 852.94

IUPAC Name: N-[4-[4-[[3-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]triazol-1-yl]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C

InChIKey: GRYRXFYWVDWPQY-UHFFFAOYSA-N

InChI: 1S/C40H40N10O8S2/c1-23-15-24(2)44-40(43-23)59-22-34(53)46-39-42-18-28(60-39)17-25-7-5-8-27(16-25)57-20-26-19-49(48-47-26)14-4-3-13-41-33(52)21-58-31-10-6-9-29-35(31)38(56)50(37(29)55)30-11-12-32(51)45See more
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