激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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PD-1 / PD-L1抑制剂1
- ≥98%
CAS号 : 1675201-83-8 Compound CID : 91663303

分子式: C₂₉H₃₃NO₅ 分子量: 475.6

IUPAC Name: (2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid

SMILES: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCCC4C(=O)O)OC

InChIKey: ZBOYJODMIAUJHH-SANMLTNESA-N

InChI: InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1
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Autophinib,VPS34抑制剂
- ≥98%(HPLC)
CAS号 : 1644443-47-9 Compound CID : 129626605

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: 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 Compound CID : 15953870

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: 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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BMS202（PD-1 / PD-L1抑制剂2）
- 10mM in DMSO
CAS号 : 1675203-84-5(DMSO)

分子式: C₂₅H₂₉N₃O₃ 分子量: 419.52

SMILES: COC1=C(CNCCNC(C)=O)C=CC(=N1)OCC2=C(C)C(=CC=C2)C3=CC=CC=C3
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KU-60019
- 10mM in DMSO
CAS号 : 925701-49-1(DMSO)

分子式: C₃₀H₃₃N₃O₅S 分子量: 547.67

SMILES: CC1CN(CC(C)O1)CC(=O)NC2=CC3=C(SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6)C=C2
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SAR405
- 10mM in DMSO
CAS号 : 1523406-39-4(DMSO)

分子式: C₁₉H₂₁ClF₃N₅O₂ 分子量: 443.85
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Torin 2
- 10mM in DMSO
CAS号 : 1223001-51-1(DMSO)

分子式: C₂₄H₁₅F₃N₄O 分子量: 432.4

SMILES: NC1=CC=C(C=N1)C2=CC=C3N=CC4=C(N(C(=O)C=C4)C5=CC=CC(=C5)C(F)(F)F)C3=C2
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ML162
- ≥98%
CAS号 : 1035072-16-2 Compound CID : 3689413

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: 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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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: 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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BMS-1001
- ≥98%
CAS号 : 2113650-03-4 Compound CID : 131839624

分子式: C₃₅H₃₄N₂O₇ 分子量: 594.65

IUPAC Name: (2R)-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methylamino]-3-hydroxypropanoic acid

SMILES: CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC4=C(C=C3)OCCO4)C)OCC5=CC(=CC=C5)C#N)CNC(CO)C(=O)O

InChIKey: UWNXGZKSIKQKAH-SSEXGKCCSA-N

InChI: InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1
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Autophinib
- 10mM in DMSO
CAS号 : 1644443-47-9 Compound CID : 129626605

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: 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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BMS-1166
- 10mM in DMSO
CAS号 : 1818314-88-3 Compound CID : 118434635

分子式: C₃₆H₃₃ClN₂O₇ 分子量: 641.11

IUPAC Name: (2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid

SMILES: CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)COC4=C(C=C(C(=C4)OCC5=CC(=CC=C5)C#N)CN6CC(CC6C(=O)O)O)Cl

InChIKey: QBXVXKRWOVBUDB-GRKNLSHJSA-N

InChI: InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1
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