按“信号通路”分类 - 小分子和化合物库

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孟鲁司特钠水合物
- ≥99%
CAS号: 151767-02-1

分子式: C₃₅H₃₅ClNO₃S·Na · xH2O 分子量: 608.17 (anhydrous basis)

IUPAC Name: sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate

SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]

InChIKey: LBFBRXGCXUHRJY-HKHDRNBDSA-M

InChI: 1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(HSee more
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普鲁司特
- ≥99%
CAS号: 103177-37-3 EC号: 808-178-9

分子式: C₂₇H₂₃N₅O₄ 分子量: 481.5

IUPAC Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide

SMILES: C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5

InChIKey: NBQKINXMPLXUET-UHFFFAOYSA-N

InChI: 1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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西咪匹韦
- ≥98%
CAS号: 923604-59-5 Compound CID : 24873435

分子式: C₃₈H₄₇N₅O₇S₂ 分子量: 749.96

IUPAC Name: (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

SMILES: CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC

InChIKey: JTZZSQYMACOLNN-VDWJNHBNSA-N

InChI: 1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,See more
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特拉匹韦
- ≥98%
CAS号: 402957-28-2 Compound CID : 3010818

分子式: C₃₆H₅₃N₇O₆ 分子量: 679.85

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrSee more

SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2See more
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维鲁司特
- ≥98%
CAS号: 120443-16-5

分子式: C₂₆H₂₇ClN₂O₃S₂ 分子量: 515.09

IUPAC Name: 3-[(R)-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

SMILES: CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O

InChIKey: AXUZQJFHDNNPFG-LHAVAQOQSA-N

InChI: 1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1
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扎鲁斯特
- ≥99%
CAS号: 107753-78-6 Compound CID : 5717

分子式: C₃₁H₃₃N₃O₆S 分子量: 575.68

IUPAC Name: cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate

SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC

InChIKey: YEEZWCHGZNKEEK-UHFFFAOYSA-N

InChI: 1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,See more
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组织蛋白酶抑制剂1
- ≥99%
CAS号: 225120-65-0 Compound CID : 44224135

分子式: C₂₀H₂₄ClN₅O₂ 分子量: 401.89

IUPAC Name: 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C

InChIKey: MZRVIHRERYCHBL-HNNXBMFYSA-N

InChI: 1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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E-64,半胱氨酸蛋白酶抑制剂
- ≥99%
- protease inhibitor
CAS号: 66701-25-5

分子式: C₁₅H₂₇N₅O₅ 分子量: 357.41

IUPAC Name: (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N

InChIKey: LTLYEAJONXGNFG-DCAQKATOSA-N

InChI: 1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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SF1670,PTEN抑制剂
- ≥98%
CAS号: 345630-40-2 Compound CID : 9926586

分子式: C₁₉H₁₇NO₃ 分子量: 307.35

IUPAC Name: N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide

SMILES: CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=O

InChIKey: VZQDDSYKVYARDW-UHFFFAOYSA-N

InChI: 1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
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白三烯E4
- ≥97%
- 100ug/ml in ethanol
CAS号: 75715-89-8

分子式: C₂₃H₃₇NO₅S 分子量: 439.61

IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

InChIKey: OTZRAYGBFWZKMX-FRFVZSDQSA-N

InChI: 1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,See more
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MK 571
- ≥95%
CAS号: 115104-28-4

分子式: C₂₆H₂₇ClN₂O₃S₂ 分子量: 515.09

IUPAC Name: 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

SMILES: CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O

InChIKey: AXUZQJFHDNNPFG-UXBLZVDNSA-N

InChI: 1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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L 006235,组织蛋白酶K抑制剂
- ≥98%(HPLC)
CAS号: 294623-49-7

分子式: C₂₄H₃₀N₆O₂S 分子量: 466.6

IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

SMILES: CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N

InChIKey: FIVYCSWOCXEWSE-UHFFFAOYSA-N

InChI: 1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)
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