FDA批准的配体 - 小分子和化合物库

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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: 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)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
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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: 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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布林佐胺
- ≥98%
CAS号 : 138890-62-7 Compound CID : 68844

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: 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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呋塞米
- ≥98%
CAS号 : 54-31-9 Compound CID : 3440

分子式: C₁₂H₁₁ClN₂O₅S 分子量: 330.74

IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid

SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

InChI: InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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乐伐替尼 (E7080)
- ≥99%
CAS号 : 417716-92-8 Compound CID : 9823820

分子式: C₂₁H₁₉ClN₄O₄ 分子量: 426.85

IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide

SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N

InChI: InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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乙酰唑胺
- ≥99%
CAS号 : 59-66-5 Compound CID : 1986

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: 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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氯塞酮
- ≥98%
CAS号 : 77-36-1 Compound CID : 2732

分子式: C₁₄H₁₁ClN₂O₄S 分子量: 338.77

IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

SMILES: C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

InChIKey: JIVPVXMEBJLZRO-UHFFFAOYSA-N

InChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
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(±)-舒必利
- 10mM in DMSO
CAS号 : 15676-16-1

分子式: C₁₅H₂₃N₃O₄S 分子量: 341.43

IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

InChI: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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