按“信号通路”分类 - 小分子和化合物库

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PP242,mTOR抑制剂
- ≥98%
CAS号: 1092351-67-1

分子式: C₁₆H₁₆N₆O 分子量: 308.34

IUPAC Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol

SMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N

InChIKey: MFAQYJIYDMLAIM-UHFFFAOYSA-N

InChI: 1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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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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钙离子载体 A23187
- ≥97%
CAS号: 52665-69-7

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: 1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-See more
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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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阿洛司他丁酸
- ≥98%
CAS号: 76684-89-4

分子式: C₁₅H₂₆N₂O₅ 分子量: 314.38

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

SMILES: CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O

InChIKey: SCMSYZJDIQPSDI-SRVKXCTJSA-N

InChI: 1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
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LDN-193189,BMP I 型受体抑制剂
- ≥98%
CAS号: 1062368-24-4

分子式: C₂₅H₂₂N₆ 分子量: 479.4

IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

SMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3

InChIKey: CDOVNWNANFFLFJ-UHFFFAOYSA-N

InChI: 1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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DMH-1,BMP-1受体抑制剂
- ≥98%
CAS号: 1206711-16-1

分子式: C₂₄H₂₀N₄O 分子量: 380.44

IUPAC Name: 4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

SMILES: CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2

InChIKey: JMIFGARJSWXZSH-UHFFFAOYSA-N

InChI: 1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
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Z-FA-FMK,不可逆半胱氨酸蛋白酶抑制剂
- ≥98%
CAS号: 105637-38-5

分子式: C₂₁H₂₃N₂O₄F 分子量: 386.42

IUPAC Name: benzyl N-[(2S)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

SMILES: CC(C(=O)CF)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChIKey: ASXVEBPEZMSPHB-YJBOKZPZSA-N

InChI: 1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
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ML 347,ALK1和ALK2抑制剂
- ≥98%(HPLC)
CAS号: 1062368-49-3

分子式: C₂₂H₁₆N₄O 分子量: 352.39

IUPAC Name: 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

SMILES: COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=C5C=CC=NC5=CC=C4)N=C2

InChIKey: FVRYPYDPKSZGNS-UHFFFAOYSA-N

InChI: 1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3
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LDN 214117,ALK2抑制剂
- ≥98%(HPLC)
CAS号: 1627503-67-6

分子式: C₂₅H₂₉N₃O₃ 分子量: 419.52

IUPAC Name: 1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine

SMILES: CC1=C(C=C(C=N1)C2=CC=C(C=C2)N3CCNCC3)C4=CC(=C(C(=C4)OC)OC)OC

InChIKey: BHUXVRVMMYAXKN-UHFFFAOYSA-N

InChI: 1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3
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LDN 212854,I型强骨形态发生蛋白（ALK）抑制剂
- ≥98%(HPLC)
CAS号: 1432597-26-6

分子式: C₂₅H₂₂N₆ 分子量: 406.48

IUPAC Name: 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

SMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3

InChIKey: BBDGBGOVJPEFBT-UHFFFAOYSA-N

InChI: 1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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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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