配体家族 - 小分子和化合物库

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Tideglusib,非ATP竞争性GSK-3β抑制剂
- ≥98%
CAS号: 865854-05-3 Compound CID : 11313622

分子式: C₁₉H₁₄N₂O₂S 分子量: 334.39

IUPAC Name: 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChIKey: PMJIHLSCWIDGMD-UHFFFAOYSA-N

InChI: 1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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曲美替尼 (GSK1120212)
- ≥98%
CAS号: 871700-17-3 Compound CID : 11707110

分子式: C₂₆H₂₃FIN₅O₄ 分子量: 615.39

IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5

InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N

InChI: 1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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UCN-01,PKC抑制剂
- ≥95%(HPLC)
CAS号: 112953-11-4 Compound CID : 72271

分子式: C₂₈H₂₆N₄O₄ 分子量: 482.53

IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC

InChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-N

InChI: 1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-See more
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（5Z）-7-氧杂烯醇
- ≥98%
CAS号: 253863-19-3 EC号: 683-694-3

分子式: C₁₉H₂₂O₇ 分子量: 362.37

IUPAC Name: (4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

SMILES: COc1cc(O)c2C(=O)O[C@@H](C)CC=CC(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1

InChIKey: NEQZWEXWOFPKOT-BYRRXHGESA-N

InChI: 1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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TCS 21311,JAK3抑制剂
- ≥98%
CAS号: 1260181-14-3 Compound CID : 50925411

分子式: C₂₇H₂₅F₃N₄O₄ 分子量: 526.51

IUPAC Name: 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

SMILES: CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O

InChIKey: CLGRAWDGLMENOD-UHFFFAOYSA-N

InChI: 1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
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TC-G 24,GSK-3β抑制剂
- ≥98%(HPLC)
CAS号: 1257256-44-2 Compound CID : 49857866

分子式: C₁₅H₁₁ClN₄O₃ 分子量: 330.73

IUPAC Name: N-(3-chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

SMILES: CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChIKey: JYCNWQGNEJYDQS-UHFFFAOYSA-N

InChI: 1S/C15H11ClN4O3/c1-9-2-5-11(8-13(9)16)17-15-19-18-14(23-15)10-3-6-12(7-4-10)20(21)22/h2-8H,1H3,(H,17,19)
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Trametinib (GSK1120212)
- 10mM in DMSO
CAS号: 871700-17-3 Compound CID : 11707110

分子式: C₂₆H₂₃FIN₅O₄ 分子量: 615.39
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Abemaciclib
- 10mM in DMSO
CAS号: 1231929-97-7

分子式: C₂₇H₃₂F₂N₈ 分子量: 506.59

IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N

InChI: 1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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Tideglusib
- 10mM in DMSO
CAS号: 865854-05-3 Compound CID : 11313622

分子式: C₁₉H₁₄N₂O₂S 分子量: 334.39

IUPAC Name: 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChIKey: PMJIHLSCWIDGMD-UHFFFAOYSA-N

InChI: 1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrol
Compound CID : 145996530

SMILES: O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O

InChIKey: RQBUNBWHIATPNI-WQWWALRQSA-N

InChI: 1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(6See more
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MS432
Compound CID : 145712394

IUPAC Name: (2S,4R)-1-((S)-20-(tert-Butyl)-1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,18-dioxo-3-oxa-2,7,19-triazahenicosan-21-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidSee more

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C

InChIKey: KCBAMQOKOLXLOX-BSZYMOERSA-N

InChI: 1S/C50H65F3IN7O6S/c1-31(33-16-18-34(19-17-33)45-32(2)56-30-68-45)57-48(65)41-28-36(62)29-61(41)49(66)46(50(3,4)5)59-42(63)15-12-10-8-6-7-9-11-13-24-55-25-14-26-67-60-47(64)37-21-22-38(51)43(53)44(37)5See more
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RO4987655
- 10mM in DMSO
CAS号: 874101-00-5 Compound CID : 11548630

分子式: C₂₀H₁₉F₃IN₃O₅ 分子量: 565.29
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