激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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IMD 0354,IKKβ抑制剂
- ≥99%
CAS号 : 978-62-1 Compound CID : 5081913

分子式: C₁₅H₈ClF₆NO₂ 分子量: 383.67

IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

SMILES: C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

InChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-N

InChI: InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
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CGP 54626 盐酸盐
- ≥96%(HPLC)
CAS号 : 149184-21-4 Compound CID : 197583

分子式: C₁₈H₂₈Cl₂NO₃P•HCl 分子量: 444.76

IUPAC Name: cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride

SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O.Cl

InChIKey: ZQCFHOVIXCJPLE-LINSIKMZSA-N

InChI: InChI=1S/C18H28Cl2NO3P.ClH/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14;/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24);1H/t13-,16-;/m0./s1
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IMD 0354
- 10mM in DMSO
CAS号 : 978-62-1(DMSO)

分子式: C₁₅H₈ClF₆NO₂ 分子量: 383.67

SMILES: OC1=C(C=C(Cl)C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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BX 430
- 10mM in DMSO
CAS号 : 688309-70-8 Compound CID : 2810999

分子式: C₁₅H₁₅Br₂N₃O 分子量: 413.11

IUPAC Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea

SMILES: CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CN=CC=C2)Br

InChIKey: JFNKIJKRXKPQCC-UHFFFAOYSA-N

InChI: InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
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5'-三磷酸腺苷
- 10mM in Water
CAS号 : 56-65-5(Water) Compound CID : 5957

分子式: C₁₀H₁₆N₅O₁₃P₃ 分子量: 507.18

IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CAS号 : 1580-42-3 Compound CID : 5065884

分子式: C₁₄H₉ClF₃NO₂ 分子量: 315.67

IUPAC Name: 5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

SMILES: C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)C(F)(F)F

InChIKey: OAMVIBKEICGPKK-UHFFFAOYSA-N

InChI: InChI=1S/C14H9ClF3NO2/c15-9-4-5-12(20)11(7-9)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,20H,(H,19,21)

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3',5-Dichlorosalicylanilide
CAS号 : 22203-98-1 Compound CID : 20196

分子式: C₁₃H₉Cl₂NO₂ 分子量: 282.12

IUPAC Name: 5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide

SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)O

InChIKey: NXDGLRGDIKDWIF-UHFFFAOYSA-N

InChI: InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)

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氨氯地平
- ≥98%
CAS号 : 88150-42-9 Compound CID : 2162

分子式: C₂₀H₂₅ClN₂O₅ 分子量: 408.88

IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N

InChI: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
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尼莫地平
- ≥98%
CAS号 : 66085-59-4 Compound CID : 4497

分子式: C₂₁H₂₆N₂O₇ 分子量: 418.44

IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

InChI: InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
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巴氯酚
- ≥98%
CAS号 : 1134-47-0 Compound CID : 2284

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: 4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-N

InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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(R)-巴氯芬
- ≥98%
CAS号 : 69308-37-8

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N

InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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伊维茵素
CAS号 : 70288-86-7 Compound CID : 6321424

分子式: C₄₈H₇₄O₁₄ 分子量: 875.09

IUPAC Name: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C

InChIKey: AZSNMRSAGSSBNP-XPNPUAGNSA-N

InChI: InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
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