FDA批准的配体 - 小分子和化合物库

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黄体酮
CAS号: 57-83-0 EC号: 200-350-6

分子式: C₂₁H₃₀O₂ 分子量: 314.47

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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前列腺素E1
- ≥98%(HPLC)
CAS号: 745-65-3 EC号: 212-017-2

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: 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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Romidepsin,HDAC1和HDAC2抑制剂
- ≥98%
CAS号: 128517-07-7 Compound CID : 5352062

分子式: C₂₄H₃₆N₄O₆S₂ 分子量: 540.7

IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

SMILES: CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N

InChI: 1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9See more
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N-羟基-N'-苯基辛二酰胺
- ≥99%
CAS号: 149647-78-9 Compound CID : 5311

分子式: C₁₄H₂₀N₂O₃ 分子量: 264.32

IUPAC Name: N'-hydroxy-N-phenyloctanediamide

SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N

InChI: 1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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前列腺素 E₂
- ≥93%(HPLC)
CAS号: 363-24-6

分子式: C₂₀H₃₂O₅ 分子量: 352.47

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

SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N

InChI: 1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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