FDA批准的配体 - 小分子和化合物库

喷司他丁

规格或纯度 :

≥98%(HPLC)

CAS号 : 53910-25-1 Compound CID : 439693

分子式: C₁₁H₁₆N₄O₄ 分子量: 268.27

IUPAC Name: (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

SMILES: C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O

InChIKey: FPVKHBSQESCIEP-JQCXWYLXSA-N

InChI: InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1

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前列腺素E1

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 745-65-3 Compound CID : 5280723

分子式: C₂₀H₃₄O₅ 分子量: 354.48

IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid

SMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O

InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N

InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1

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托法替尼

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 477600-75-2 Compound CID : 9926791

分子式: C₁₆H₂₀N₆O 分子量: 312.37

IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N

InChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1

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齐留通(Zileuton)

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 111406-87-2 Compound CID : 60490

分子式: C₁₁H₁₂N₂O₂S 分子量: 236.29

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

SMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

InChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

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溴莫尼定

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 59803-98-4 Compound CID : 2435

分子式: C₁₁H₁₀BrN₅ 分子量: 292.135

IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br

InChIKey: XYLJNLCSTIOKRM-UHFFFAOYSA-N

InChI: InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)

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秋水仙碱

规格或纯度 :

Moligand™

适用于植物细胞培养

≥98%(HPLC)

CAS号 : 64-86-8 Compound CID : 6167

分子式: C₂₂H₂₅NO₆ 分子量: 399.44

IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

InChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

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法舒地尔

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 103745-39-7 Compound CID : 3547

分子式: C₁₄H₁₇N₃O₂S 分子量: 291.37

IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline

SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

InChI: InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2

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氟米龙

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 426-13-1 Compound CID : 9878

分子式: C₂₂H₂₉FO₄ 分子量: 376.46

IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14

InChIKey: FAOZLTXFLGPHNG-KNAQIMQKSA-N

InChI: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1

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醋酸环丙孕酮

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 427-51-0 Compound CID : 9880

分子式: C₂₄H₂₉ClO₄ 分子量: 416.94

IUPAC Name: [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate

SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C

InChIKey: UWFYSQMTEOIJJG-FDTZYFLXSA-N

InChI: InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1

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卡洛芬

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 53716-49-7 Compound CID : 2581

分子式: C₁₅H₁₂ClNO₂ 分子量: 273.72

IUPAC Name: 2-(6-chloro-9H-carbazol-2-yl)propanoic acid

SMILES: CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O

InChIKey: PUXBGTOOZJQSKH-UHFFFAOYSA-N

InChI: InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)

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屈螺酮

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 67392-87-4 Compound CID : 68873

分子式: C₂₄H₃₀O₃ 分子量: 366.5

IUPAC Name: (1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione

SMILES: CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C

InChIKey: METQSPRSQINEEU-HXCATZOESA-N

InChI: InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1

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