按“信号通路”分类 - 小分子和化合物库

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AS-605240,PI3Kγ抑制剂
- ≥98%
CAS号: 648450-29-7

分子式: C₁₂H₇N₃O₂S 分子量: 257.27

IUPAC Name: (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

SMILES: C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3

InChIKey: SQWZFLMPDUSYGV-POHAHGRESA-N

InChI: 1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
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AZD6482,PI3-Kβ抑制剂
- ≥98%
CAS号: 1173900-33-8

分子式: C₂₂H₂₄N₄O₄ 分子量: 408.45

IUPAC Name: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid

SMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4

InChIKey: IRTDIKMSKMREGO-OAHLLOKOSA-N

InChI: 1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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PP2,Src和RIP2激酶抑制剂
- ≥98%
CAS号: 172889-27-9 EC号: 878-892-3

分子式: C₁₅H₁₆ClN₅ 分子量: 301.77

IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

SMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N

InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N

InChI: 1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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PI-103,PI3K 和 mTOR 抑制剂
- ≥98%
CAS号: 371935-74-9

分子式: C₁₉H₁₆N₄O₃ 分子量: 348.36

IUPAC Name: 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol

SMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O

InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N

InChI: 1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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PP121,酪氨酸和磷酸肌醇激酶的双重抑制剂
- ≥98%
CAS号: 1092788-83-4

分子式: C₁₇H₁₇N₇ 分子量: 319.36

IUPAC Name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

SMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N

InChIKey: NVRXTLZYXZNATH-UHFFFAOYSA-N

InChI: 1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
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普纳替尼 (AP24534)
- ≥99%
CAS号: 943319-70-8

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: 1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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PKI-402
- ≥98%
CAS号: 1173204-81-3

分子式: C₂₉H₃₄N₁₀O₃ 分子量: 570.65

IUPAC Name: 1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

SMILES: CCN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C)N6CCOCC6)N=N1

InChIKey: ZAXFYGBKZSQBIV-UHFFFAOYSA-N

InChI: 1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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Gedatolisib (PF-05212384, PKI-587),双重PI 3-K / mTOR抑制剂
- ≥98%
CAS号: 1197160-78-3

分子式: C₃₂H₄₁N₉O₄ 分子量: 615.73

IUPAC Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

SMILES: CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6

InChIKey: DWZAEMINVBZMHQ-UHFFFAOYSA-N

InChI: 1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
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PIK-294
- ≥98%
CAS号: 900185-02-6

分子式: C₂₈H₂₃N₇O₂ 分子量: 489.53

IUPAC Name: 2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

SMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N

InChIKey: WFSLJOPRIJSOJR-UHFFFAOYSA-N

InChI: 1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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SB-203580,p38 MAPK抑制剂
- ≥98%(HPLC)
CAS号: 152121-47-6 Compound CID : 176155

分子式: C₂₁H₁₆FN₃OS 分子量: 377.43

IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N

InChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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TGX-221,PI3K抑制剂
- ≥99%
CAS号: 663619-89-4 Compound CID : 9907093

分子式: C₂₁H₂₄N₄O₂ 分子量: 364.45

IUPAC Name: 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4

InChIKey: CPRAGQJXBLMUEL-UHFFFAOYSA-N

InChI: 1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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TG100-115,PI3Kγ/δ抑制剂
- ≥98%
CAS号: 677297-51-7 Compound CID : 10427712

分子式: C₁₈H₁₄N₆O₂ 分子量: 346.35

IUPAC Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol

SMILES: C1=CC(=CC(=C1)O)C2=NC3=C(N=C(N=C3N=C2C4=CC(=CC=C4)O)N)N

InChIKey: UJIAQDJKSXQLIT-UHFFFAOYSA-N

InChI: 1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
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