FDA批准的配体 - 小分子和化合物库

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米拉贝隆
- ≥99%
CAS号 : 223673-61-8 Compound CID : 9865528

分子式: C₂₁H₂₄N₄O₂S 分子量: 396.51

IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

SMILES: C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O

InChIKey: PBAPPPCECJKMCM-IBGZPJMESA-N

InChI: InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
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L-去甲肾上腺素
- ≥98%
CAS号 : 51-41-2 Compound CID : 439260

分子式: C₈H₁₁NO₃ 分子量: 169.18

IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

SMILES: C1=CC(=C(C=C1C(CN)O)O)O

InChIKey: SFLSHLFXELFNJZ-QMMMGPOBSA-N

InChI: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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尼罗替尼 (AMN-107)
- ≥99%
CAS号 : 641571-10-0 Compound CID : 644241

分子式: C₂₈H₂₂F₃N₇O 分子量: 529.53

IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

InChI: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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纳多洛尔
- ≥98%
CAS号 : 42200-33-9 Compound CID : 39147

分子式: C₁₇H₂₇NO₄ 分子量: 309.4

IUPAC Name: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol

SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O

InChIKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-N

InChI: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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索拉非尼
- ≥99%
CAS号 : 284461-73-0 Compound CID : 216239

分子式: C₂₁H₁₆ClF₃N₄O₃ 分子量: 464.83

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

InChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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维罗非尼(PLX4032,RG7204)
- ≥98%
CAS号 : 918504-65-1 Compound CID : 42611257

分子式: C₂₃H₁₈ClF₂N₃O₃S 分子量: 489.92

IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N

InChI: InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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倍他洛尔
- ≥98%
CAS号 : 63659-18-7 Compound CID : 2369

分子式: C₁₈H₂₉NO₃ 分子量: 307.43

IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O

InChIKey: NWIUTZDMDHAVTP-UHFFFAOYSA-N

InChI: InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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(R,R)-福莫特罗
- ≥98%
CAS号 : 67346-49-0

分子式: C₁₉H₂₄N₂O₄ 分子量: 344.4

IUPAC Name: N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

SMILES: CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O

InChIKey: BPZSYCZIITTYBL-YJYMSZOUSA-N

InChI: InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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茚达特罗
- ≥99%
CAS号 : 312753-06-3 Compound CID : 6918554

分子式: C₂₄H₂₈N₂O₃ 分子量: 392.49

IUPAC Name: 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

SMILES: CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC

InChIKey: QZZUEBNBZAPZLX-QFIPXVFZSA-N

InChI: InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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阿替洛尔
- ≥98%
- powder
CAS号 : 29122-68-7 Compound CID : 2249

分子式: C₁₄H₂₂N₂O₃ 分子量: 266.34

IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

InChI: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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拉贝洛尔
- ≥98%
CAS号 : 36894-69-6 Compound CID : 3869

分子式: C₁₉H₂₄N₂O₃ 分子量: 328.41

IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

InChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-N

InChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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Bupranolol,β肾上腺素受体拮抗剂
- ≥98%
CAS号 : 14556-46-8 Compound CID : 2475

分子式: C₁₄H₂₂ClNO₂ 分子量: 271.78

IUPAC Name: 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol

SMILES: CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O

InChIKey: HQIRNZOQPUAHHV-UHFFFAOYSA-N

InChI: InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
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