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

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: 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 EC号: 200-096-6

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: 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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纳多洛尔
- ≥98%
CAS号: 42200-33-9 EC号: 255-706-3

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: 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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西地那非
- ≥98%
CAS号: 139755-83-2 Compound CID : 135398744

分子式: C₂₂H₃₀N₆O₄S 分子量: 474.58

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C

InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N

InChI: 1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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西力士
- ≥99%
CAS号: 171596-29-5 EC号: 200-835-2 Compound CID : 110635

分子式: C₂₂H₁₉N₃O₄ 分子量: 389.4

IUPAC Name: (2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

SMILES: CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36

InChIKey: WOXKDUGGOYFFRN-IIBYNOLFSA-N

InChI: 1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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Bupranolol,β肾上腺素受体拮抗剂
- ≥98%
CAS号: 14556-46-8

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: 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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吲哚洛尔
- ≥99%
CAS号: 13523-86-9 Compound CID : 4828

分子式: C₁₄H₂₀N₂O₂ 分子量: 248.32

IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

InChIKey: JZQKKSLKJUAGIC-UHFFFAOYSA-N

InChI: 1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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酒石酸福莫特罗
CAS号: 73573-87-2

分子式: 19H24N2O4

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

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

InChIKey: BPZSYCZIITTYBL-UHFFFAOYSA-N

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)
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非诺特罗
- ≥98%
CAS号: 13392-18-2

分子式: C₁₇H₂₁NO₄ 分子量: 303.35

IUPAC Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol

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

InChIKey: LSLYOANBFKQKPT-UHFFFAOYSA-N

InChI: 1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
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L-肾上腺素
- ≥98%
CAS号: 51-43-4

分子式: C₉H₁₃NO₃ 分子量: 183.20

IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

SMILES: CNCC(C1=CC(=C(C=C1)O)O)O

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N

InChI: 1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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L-去甲肾上腺素
- 10mM in DMSO
CAS号: 51-41-2 EC号: 200-096-6

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: 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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纳多洛尔
- 10mM in DMSO
CAS号: 42200-33-9 EC号: 255-706-3

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: 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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