按“信号通路”分类 - 小分子和化合物库

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AZ 3146,强力Mps1激酶抑制剂
- ≥98%
CAS号: 1124329-14-1

分子式: C₂₄H₃₂N₆O₃ 分子量: 452.55

IUPAC Name: 9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one

SMILES: CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)OC

InChIKey: YUKWVHPTFRQHMF-UHFFFAOYSA-N

InChI: 1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)
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逆转素
- ≥97%(HPLC)
CAS号: 656820-32-5 Compound CID : 210332

分子式: C₂₁H₂₇N₇O 分子量: 393.49

IUPAC Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

SMILES: C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

InChIKey: ZFLJHSQHILSNCM-UHFFFAOYSA-N

InChI: 1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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Ro3280,PLK1抑制剂
- ≥99%
CAS号: 1062243-51-9 Compound CID : 25015677

分子式: C₂₇H₃₅F₂N₇O₃ 分子量: 543.61

IUPAC Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC

InChIKey: DJNZZLZKAXGMMC-UHFFFAOYSA-N

InChI: 1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
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右旋比扣扣灵碱
CAS号: 485-49-4 EC号: 207-619-7

分子式: C₂₀H₁₇NO₆ 分子量: 367.35

IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

InChI: 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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右旋比扣扣灵碱
- ≥98%
CAS号: 485-49-4 EC号: 207-619-7

分子式: C₂₀H₁₇NO₆ 分子量: 367.35

IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

InChI: 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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CYC116,Aurora A/B抑制剂
- ≥98%
CAS号: 693228-63-6

分子式: C₁₈H₂₀N₆OS 分子量: 368.46

IUPAC Name: 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChIKey: GPSZYOIFQZPWEJ-UHFFFAOYSA-N

InChI: 1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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氟马西尼
- ≥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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异哌啶酸
- ≥98%
CAS号: 498-94-2 EC号: 207-872-3

分子式: C₆H₁₁NO₂ 分子量: 129.16

IUPAC Name: piperidine-4-carboxylic acid

SMILES: C1CNCCC1C(=O)O

InChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-N

InChI: 1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
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N8-[(2S)-3,3-二甲基丁烷-2-基] -N2-[2-甲氧基-4-(1-甲基-1H-吡唑-4-基)苯基]吡啶基[3,4-d]嘧啶-2,8-二胺
- ≥97%
CAS号: 1578244-34-4

分子式: C₂₄H₂₉N₇O 分子量: 431.5334

IUPAC Name: 8-N-[(2S)-3,3-dimethylbutan-2-yl]-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

SMILES: CC(C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC

InChIKey: XTJZKALDRPVFSN-HNNXBMFYSA-N

InChI: 1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1
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TPA-023B
- ≥97%
CAS号: 425377-76-0 Compound CID : 9865233

分子式: C₂₁H₁₅F₂N₅O 分子量: 391.382

IUPAC Name: 3-fluoro-2-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]benzonitrile

SMILES: CC(C)(C1=NC2=NC=C(N2N=C1)C3=CC(=C(C=C3)F)C4=C(C=CC=C4F)C#N)O

InChIKey: PCZLQMGFNUNVOM-UHFFFAOYSA-N

InChI: 1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3
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加波沙朵
- ≥98%
CAS号: 64603-91-4

分子式: C₆H₈N₂O₂ 分子量: 140.14

IUPAC Name: 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

SMILES: C1CNCC2=C1C(=O)NO2

InChIKey: ZXRVKCBLGJOCEE-UHFFFAOYSA-N

InChI: 1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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来他替尼
- ≥98%
CAS号: 111358-88-4

分子式: C₂₆H₂₁N₃O₄ 分子量: 439.46

IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N

InChI: 1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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