FDA批准的配体 - 小分子和化合物库

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布林佐胺
- ≥98%
CAS号: 138890-62-7 EC号: 620-511-8

分子式: C₁₂H₂₁N₃O₅S₃ 分子量: 383.51

IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC

InChIKey: HCRKCZRJWPKOAR-JTQLQIEISA-N

InChI: 1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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右美托咪定
- ≥98%
CAS号: 113775-47-6

分子式: C₁₃H₁₆N₂ 分子量: 200.28

IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

SMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C

InChIKey: CUHVIMMYOGQXCV-NSHDSACASA-N

InChI: 1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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双香豆素
- ≥98%
CAS号: 66-76-2

分子式: C₁₉H₁₂O₆ 分子量: 336.3

IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

InChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N

InChI: 1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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乙酰唑胺
- ≥99%
CAS号: 59-66-5

分子式: C₄H₆N₄O₃S₂ 分子量: 222.25

IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N

InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N

InChI: 1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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6-乙氧基-2-苯并噻唑苯磺酸
CAS号: 452-35-7 Compound CID : 3295

分子式: C₉H₁₀N₂O₃S₂ 分子量: 258.32

IUPAC Name: 6-ethoxy-1,3-benzothiazole-2-sulfonamide

SMILES: CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N

InChIKey: OUZWUKMCLIBBOG-UHFFFAOYSA-N

InChI: 1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)

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米氮平
- ≥98%
CAS号: 61337-67-5

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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达那唑
- ≥98%
CAS号: 17230-88-5 EC号: MFCD00056838

分子式: C₂₂H₂₇NO₂ 分子量: 337.46

IUPAC Name: (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-N

InChI: 1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
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