按“信号通路”分类 - 小分子和化合物库

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阿尔韦莱司他
- ≥98%
CAS号: 848141-11-7

分子式: C₂₅H₂₂F₃N₅O₄S 分子量: 545.53

IUPAC Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

SMILES: CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C

InChIKey: QNQZWEGMKJBHEM-UHFFFAOYSA-N

InChI: 1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)
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替洛利生
- ≥98%
CAS号: 362665-56-3

分子式: C₁₇H₂₆ClNO 分子量: 295.85

IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine

SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl

InChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-N

InChI: 1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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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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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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组胺
- ≥96%
CAS号: 51-45-6 EC号: 200-100-6

分子式: C₅H₉N₃ 分子量: 111.15

IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine

SMILES: C1=C(NC=N1)CCN

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI: 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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JNJ-7777120,组胺H 4受体拮抗剂
- ≥98%(HPLC)
CAS号: 459168-41-3 EC号: 636-930-4

分子式: C₁₄H₁₆ClN₃O 分子量: 277.75

IUPAC Name: (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

SMILES: CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

InChIKey: HUQJRYMLJBBEDO-UHFFFAOYSA-N

InChI: 1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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JNJ39758979,组胺H4受体拮抗剂
- ≥97%
CAS号: 1046447-90-8

分子式: C₁₁H₁₉N₅ 分子量: 221.30

IUPAC Name: 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

SMILES: CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)N

InChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-N

InChI: 1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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西维来司他
- ≥98%(HPLC)
CAS号: 127373-66-4 EC号: 695-701-7

分子式: C₂₀H₂₂N₂O₇S 分子量: 434.46

IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid

SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O

InChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-N

InChI: 1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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VUF 10460,H4激动剂
- ≥98%(HPLC)
CAS号: 1028327-66-3 Compound CID : 25129523

分子式: C₁₅H₁₉N₅ 分子量: 269.34

IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N

InChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-N

InChI: 1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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Thioperamide,H3拮抗剂
- ≥99%(HPLC)
CAS号: 106243-16-7 Compound CID : 3035905

分子式: C₁₅H₂₄N₄S 分子量: 292.44

IUPAC Name: N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

SMILES: C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3

InChIKey: QKDDJDBFONZGBW-UHFFFAOYSA-N

InChI: 1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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西维来司钠
- ≥98%(HPLC)
CAS号: 150374-95-1 Compound CID : 23664980

分子式: C₂₀H₂₁N₂NaO₇S 分子量: 456.44

IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate

SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]

InChIKey: ZAIFANJZUGNYCK-UHFFFAOYSA-M

InChI: 1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
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ONO 6818,(HNE1) 抑制剂
- ≥98%
CAS号: 208848-19-5

分子式: C₂₃H₂₈N₆O₄ 分子量: 452.51

IUPAC Name: 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide

SMILES: CC(C)C(C(=O)C1=NN=C(O1)C(C)(C)C)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3

InChIKey: YSIHYROEMJSOAS-UHFFFAOYSA-N

InChI: 1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)
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