表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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MC1568,HDAC IIa类抑制剂

规格或纯度 :

Moligand™

≥97%(HPLC)

CAS号 : 852475-26-4 Compound CID : 11381449

分子式: C₁₇H₁₅FN₂O₃ 分子量: 314.31

IUPAC Name: (E)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide

SMILES: CN1C=C(C=C1C=CC(=O)NO)C=CC(=O)C2=CC(=CC=C2)F

InChIKey: QRDAPCMJAOQZSU-KQQUZDAGSA-N

InChI: InChI=1S/C17H15FN2O3/c1-20-11-12(9-15(20)6-8-17(22)19-23)5-7-16(21)13-3-2-4-14(18)10-13/h2-11,23H,1H3,(H,19,22)/b7-5+,8-6+

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K-252a,蛋白质和CAM激酶抑制剂

规格或纯度 :

≥97%(HPLC)

CAS号 : 99533-80-9 Compound CID : 3035817

分子式: C₂₇H₂₁N₃O₅ 分子量: 467.47

IUPAC Name: methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O

InChIKey: KOZFSFOOLUUIGY-SOLYNIJKSA-N

InChI: InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1

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K252b,蛋白激酶抑制剂

规格或纯度 :

≥97%(HPLC)

CAS号 : 99570-78-2 Compound CID : 9981344

分子式: C₂₆H₁₉N₃O₅ 分子量: 453.5

IUPAC Name: (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)O

InChIKey: AMSOPBXQXSAAAC-PLZPTFKGSA-N

InChI: InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m1/s1

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KT5823,PKG抑制剂

规格或纯度 :

Moligand™

≥97%(HPLC)

CAS号 : 126643-37-6 Compound CID : 108152

分子式: C₂₉H₂₅N₃O₅ 分子量: 495.5

IUPAC Name: methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CN(C6=O)C)(C(=O)OC)OC

InChIKey: QTYMDECKVKSGSM-YMUMJAELSA-N

InChI: InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1

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(S)-PFI 2 盐酸盐

规格或纯度 :

≥97%(HPLC)

CAS号 : 1627607-88-8 Compound CID : 91691132

分子式: C₂₃H₂₅F₄N₃O₃S•HCl 分子量: 535.98

IUPAC Name: 8-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride

SMILES: C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl

InChIKey: ZADKZNVAJGEFLC-BOXHHOBZSA-N

InChI: InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m0./s1

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(R)-PFI 2 盐酸盐

规格或纯度 :

≥97%(HPLC)

CAS号 : 1627607-87-7 Compound CID : 78243738

分子式: C₂₃H₂₅F₄N₃O₃S•HCl 分子量: 535.98

IUPAC Name: 8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride

SMILES: C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl

InChIKey: ZADKZNVAJGEFLC-ZMBIFBSDSA-N

InChI: InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m1./s1

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GSK 591 二盐酸盐

规格或纯度 :

≥97%(HPLC)

CAS号 : 2320953-89-5 Compound CID : 124201849

分子式: C₂₂H₂₈N₄O₂.2HCl 分子量: 453.41

IUPAC Name: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;dihydrochloride

SMILES: C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O.Cl.Cl

InChIKey: CDKUMVXFXBTOBE-FJSYBICCSA-N

InChI: InChI=1S/C22H28N4O2.2ClH/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19;;/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28);2*1H/t20-;;/m0../s1

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8-羟基喹啉-5-羧酸

规格或纯度 :

Moligand™

≥97%(HPLC)

CAS号 : 5852-78-8 Compound CID : 459617

分子式: C₁₀H₇NO₃ 分子量: 189.17

IUPAC Name: 8-hydroxyquinoline-5-carboxylic acid

SMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O

InChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-N

InChI: InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)

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贝母素乙

规格或纯度 :

≥97%(HPLC)

CAS号 : 18059-10-4 Compound CID : 167691

分子式: C₂₇H₄₃NO₃ 分子量: 429.64

IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one

SMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O

InChIKey: IQDIERHFZVCNRZ-YUYPDVIUSA-N

InChI: InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1

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