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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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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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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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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渥曼青霉素
- ≥98%
CAS号: 19545-26-7 Compound CID : 312145

分子式: C₂₃H₂₄O₈ 分子量: 428.43

IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C

InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N

InChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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VS-5584(SB2343),PI3K/mTOR双重抑制剂
- ≥98%
CAS号: 1246560-33-7 Compound CID : 46912230

分子式: C₁₇H₂₂N₈O 分子量: 354.41

IUPAC Name: 5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine

SMILES: CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N

InChIKey: QYBGBLQCOOISAR-UHFFFAOYSA-N

InChI: 1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)
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XL147,PI3K抑制剂
- ≥98%
CAS号: 956958-53-5 Compound CID : 1893730

分子式: C₂₁H₁₆N₆O₂S₂ 分子量: 448.52

IUPAC Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4

InChIKey: MQMKRQLTIWPEDM-UHFFFAOYSA-N

InChI: 1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)
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ZSTK474,PI3K抑制剂
- ≥98%
CAS号: 475110-96-4 Compound CID : 11647372

分子式: C₁₉H₂₁F₂N₇O₂ 分子量: 417.42

IUPAC Name: 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

SMILES: C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5

InChIKey: HGVNLRPZOWWDKD-UHFFFAOYSA-N

InChI: 1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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