按“信号通路”分类 - 小分子和化合物库

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Torin 2,mTOR抑制剂
- ≥98%
CAS号: 1223001-51-1 Compound CID : 51358113

分子式: C₂₄H₁₅F₃N₄O 分子量: 432.4

IUPAC Name: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F

InChIKey: GUXXEUUYCAYESJ-UHFFFAOYSA-N

InChI: 1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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SAR-405,PIK3C3/Vps34抑制剂
- ≥97%
CAS号: 1523406-39-4

分子式: C₁₉H₂₁ClF₃N₅O₂ 分子量: 443.85

IUPAC Name: (8S)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

SMILES: CC1COCCN1C2=CC(=O)N3CCC(N(C3=N2)CC4=CC(=CN=C4)Cl)C(F)(F)F

InChIKey: SPDQRCUBFSRAFI-DOMZBBRYSA-N

InChI: 1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
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Autophinib,VPS34抑制剂
- ≥98%(HPLC)
CAS号: 1644443-47-9

分子式: C₁₄H₁₁ClN₆O₃ 分子量: 346.73

IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine

SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-N

InChI: 1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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KU 60019
- ≥98%
CAS号: 925701-46-8

分子式: C₃₀H₃₃N₃O₅S 分子量: 547.67

IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide

SMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6

InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-N

InChI: 1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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ML162
- ≥98%
CAS号: 1035072-16-2

分子式: C₂₃H₂₂Cl₂N₂O₃S 分子量: 477.4

IUPAC Name: 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl

InChIKey: UNVKYJSNMVDZJE-UHFFFAOYSA-N

InChI: 1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
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PIK-III
- ≥99%
CAS号: 1383716-40-2 Compound CID : 67983123

分子式: C₁₇H₁₇N₇ 分子量: 319.36

IUPAC Name: 4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

SMILES: C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N

InChIKey: XXSDLQLNIVFIJI-UHFFFAOYSA-N

InChI: 1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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VPS34-IN1
- ≥98%
CAS号: 1383716-33-3 Compound CID : 57404276

分子式: C₂₁H₂₄ClN₇O 分子量: 425.91

IUPAC Name: 1-[[5-[2-[(2-chloropyridin-4-yl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-yl]amino]-2-methylpropan-2-ol

SMILES: CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC(=NC=C4)Cl)O

InChIKey: AWNXKZVIZARMME-UHFFFAOYSA-N

InChI: 1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28)
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VPS34抑制剂1（化合物19）
- ≥98%
CAS号: 1383716-46-8 Compound CID : 67983918

分子式: C₂₁H₂₅N₇O 分子量: 391.47

IUPAC Name: 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol

SMILES: CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O

InChIKey: XJTIGGCBXFIZJV-UHFFFAOYSA-N

InChI: 1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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Autophinib
- 10mM in DMSO
CAS号: 1644443-47-9

分子式: C₁₄H₁₁ClN₆O₃ 分子量: 346.73

IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine

SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-N

InChI: 1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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ML162
- 10mM in DMSO
CAS号: 1035072-16-2

分子式: C₂₃H₂₂Cl₂N₂O₃S 分子量: 477.4

IUPAC Name: 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl

InChIKey: UNVKYJSNMVDZJE-UHFFFAOYSA-N

InChI: 1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
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PIK-III
- 10mM in DMSO
CAS号: 1383716-40-2 Compound CID : 67983123

分子式: C₁₇H₁₇N₇ 分子量: 319.36

IUPAC Name: 4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

SMILES: C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N

InChIKey: XXSDLQLNIVFIJI-UHFFFAOYSA-N

InChI: 1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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VPS34抑制剂1(化合物19)
- 10mM in DMSO
CAS号: 1383716-46-8 Compound CID : 67983918

分子式: C₂₁H₂₅N₇O 分子量: 391.47

IUPAC Name: 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol

SMILES: CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O

InChIKey: XJTIGGCBXFIZJV-UHFFFAOYSA-N

InChI: 1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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