激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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CI 1020,ETA拮抗剂
- ≥98%(HPLC)
CAS号 : 162256-50-0 Compound CID : 9870830

分子式: C₂₈H₂₆O₉ 分子量: 506.5

IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one

SMILES: COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)O

InChIKey: PWIPORDFWDZCJG-UHFFFAOYSA-N

InChI: InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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A 127722,ETA拮抗剂
- ≥98%(HPLC)
CAS号 : 195704-72-4 Compound CID : 159594

分子式: C₂₉H₃₈N₂O₆ 分子量: 510.62

IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

SMILES: CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-N

InChI: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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Macitentan (ACT 064992)
- 10mM in DMSO
CAS号 : 441798-33-0(DMSO)

分子式: C₁₉H₂₀Br₂N₆O₄S 分子量: 588.27

SMILES: CCCN[S](=O)(=O)NC1=NC=NC(=C1C2=CC=C(Br)C=C2)OCCOC3=NC=C(Br)C=N3
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Zibotentan (ZD4054)
- 10mM in DMSO
CAS号 : 186497-07-4(DMSO)

分子式: C₁₉H₁₆N₆O₄S 分子量: 424.43

SMILES: COC1=NC(=CN=C1N[S](=O)(=O)C2=CC=CN=C2C3=CC=C(C=C3)C4=NN=CO4)C
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安贝生坦
- 10mM in DMSO
CAS号 : 177036-94-1(DMSO)

分子式: C₂₂H₂₂N₂O₄ 分子量: 378.42

SMILES: COC(C(OC1=NC(=CC(=N1)C)C)C(O)=O)(C2=CC=CC=C2)C3=CC=CC=C3
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BQ-123
- 10mM in DMSO
CAS号 : 136553-81-6 Compound CID : 443289

分子式: C₃₁H₄₂N₆O₇ 分子量: 610.7

IUPAC Name: 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid

SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43

InChIKey: VYCMAAOURFJIHD-PJNXIOHISA-N

InChI: InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
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5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
CAS号 : 153042-42-3 Compound CID : 122272

分子式: C₁₇H₁₉N₃O₃S 分子量: 345.4

IUPAC Name: 5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChIKey: MJRGSRRZKSJHOE-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3

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Fandosentan
CAS号 : 221241-63-0 Compound CID : 157574

分子式: C₂₅H₁₈F₃NO₆S 分子量: 517.5

IUPAC Name: 4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1lambda6,2-benzothiazine-3-carboxylic acid

SMILES: CCC1=C2C(=CC(=C1)C3=C(N(S(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5C(F)(F)F)C(=O)O)OCO2

InChIKey: YMGQBWRXNCAABF-UHFFFAOYSA-N

InChI: InChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31)

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Enrasentan
CAS号 : 167256-08-8 Compound CID : 178103

分子式: C₂₉H₃₀O₈ 分子量: 506.5

IUPAC Name: (1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid

SMILES: CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCCO)C(=O)O)C4=CC5=C(C=C4)OCO5

InChIKey: GLCKXJLCYIJMRB-UPRLRBBYSA-N

InChI: InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1

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阿曲生坦
CAS号 : 173937-91-2 Compound CID : 159594

分子式: C₂₉H₃₈N₂O₆ 分子量: 510.62

IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

SMILES: CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-N

InChI: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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安贝生坦
- ≥99%
CAS号 : 177036-94-1 Compound CID : 6918493

分子式: C₂₂H₂₂N₂O₄ 分子量: 378.42

IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid

SMILES: CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C

InChIKey: OUJTZYPIHDYQMC-LJQANCHMSA-N

InChI: InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
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马西替坦
- ≥97%
CAS号 : 441798-33-0 Compound CID : 16004692

分子式: C₁₉H₂₀Br₂N₆O₄S 分子量: 588.27

IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine

SMILES: CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br

InChIKey: JGCMEBMXRHSZKX-UHFFFAOYSA-N

InChI: InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
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