激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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Y-33075,ROCK 抑制剂
- ≥98%
CAS号 : 199433-58-4 Compound CID : 9810884

分子式: C₁₆H₁₆N₄O 分子量: 280.33

IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N

InChIKey: JTVBXQAYBIJXRP-SNVBAGLBSA-N

InChI: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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H-1152,ROCK 抑制剂
- ≥98%
CAS号 : 451462-58-1 Compound CID : 448043

分子式: C₁₆H₂₁N₃O₂S 分子量: 319.42

IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

SMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C

InChIKey: AWDORCFLUJZUQS-ZDUSSCGKSA-N

InChI: InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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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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AT13148
- ≥98%
CAS号 : 1056901-62-2 Compound CID : 24905401

分子式: C₁₇H₁₆ClN₃O 分子量: 313.78

IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol

SMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O

InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N

InChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
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盐酸奈他地尔(AR-13324)
- ≥98%
CAS号 : 1253952-02-1 Compound CID : 66599892

分子式: C₂₈H₂₇N₃O₃.2HCl 分子量: 526.45

IUPAC Name: [4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;dihydrochloride

SMILES: CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.Cl.Cl

InChIKey: LDKTYVXXYUJVJM-FBHGDYMESA-N

InChI: InChI=1S/C28H27N3O3.2ClH/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/t26-;;/m1../s1
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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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AT13148
- 10mM in DMSO
CAS号 : 1056901-62-2 Compound CID : 24905401

分子式: C₁₇H₁₆ClN₃O 分子量: 313.78

IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol

SMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O

InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N

InChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/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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Benzamide, 4-((1R)-1-aminoethyl)-N-1H-pyrrolo(2,3-b)pyridin-4-yl-, hydrochloride (1:1)
CAS号 : 471843-75-1 Compound CID : 11507964

分子式: C₁₆H₁₇ClN₄O 分子量: 316.78

IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;hydrochloride

SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl

InChIKey: IILQESWQPZIAGP-HNCPQSOCSA-N

InChI: InChI=1S/C16H16N4O.ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;/h2-10H,17H2,1H3,(H2,18,19,20,21);1H/t10-;/m1./s1

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