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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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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Silmitasertib (CX-4945)
- 10mM in DMSO
CAS号 : 1009820-21-6(DMSO)

分子式: C₁₉H₁₂ClN₃O₂ 分子量: 349.77

SMILES: OC(=O)C1=CC2=C(C=C1)C3=CN=CC=C3C(=N2)NC4=CC(=CC=C4)Cl
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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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AZ 191
- 10mM in DMSO
CAS号 : 1594092-37-1 Compound CID : 72716071

分子式: C₂₄H₂₇N₇O 分子量: 429.52

IUPAC Name: N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=CC(=N3)C4=CN(C5=C4C=CN=C5)C)OC

InChIKey: ZYVXTMKTGDARKR-UHFFFAOYSA-N

InChI: InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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A-674563
- 10mM in DMSO
CAS号 : 552325-73-2 Compound CID : 11314340

分子式: C₂₂H₂₂N₄O 分子量: 358.44

IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine

SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N

InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N

InChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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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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BMS-1001
- 10mM in DMSO
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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PD-1 / PD-L1抑制剂1
- 10mM in DMSO
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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EHT 5372
- ≥95%
CAS号 : 1425945-63-6 Compound CID : 71529610

分子式: C₁₇H₁₁Cl₂N₅OS 分子量: 404.27

IUPAC Name: methyl 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

SMILES: COC(=N)C1=NC2=C(S1)C3=C(C=C2)N=CN=C3NC4=C(C=C(C=C4)Cl)Cl

InChIKey: QSGKPYRFWJINEH-UHFFFAOYSA-N

InChI: InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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EHT 1610
- ≥98%
CAS号 : 1425945-60-3 Compound CID : 71529602

分子式: C₁₈H₁₄FN₅O₂S 分子量: 383.40

IUPAC Name: methyl 9-(2-fluoro-4-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

SMILES: COC1=CC(=C(C=C1)NC2=NC=NC3=C2C4=C(C=C3)N=C(S4)C(=N)OC)F

InChIKey: RYBNARZBIXTFJS-UHFFFAOYSA-N

InChI: InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
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A-674563
- ≥98%
CAS号 : 552325-73-2 Compound CID : 11314340

分子式: C₂₂H₂₂N₄O 分子量: 358.44

IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine

SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N

InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N

InChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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