激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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西咪替丁
- ≥99%
CAS号 : 51481-61-9 Compound CID : 2756

分子式: C₁₀H₁₆N₆S 分子量: 252.34

IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N

InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N

InChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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组胺
- ≥96%
CAS号 : 51-45-6 Compound CID : 774

分子式: C₅H₉N₃ 分子量: 111.15

IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine

SMILES: C1=C(NC=N1)CCN

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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GSK503,EZH2甲基转移酶抑制剂
- ≥98%
CAS号 : 1346572-63-1 Compound CID : 67469117

分子式: C₃₁H₃₈N₆O₂ 分子量: 526.67

IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxamide

SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C(=CN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C)C)C

InChIKey: HRDQQHUKUIKFHT-UHFFFAOYSA-N

InChI: InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
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N-去甲基洛哌丁胺
- ≥98%
CAS号 : 66164-07-6 Compound CID : 9805944

分子式: C₂₈H₃₁ClN₂O₂ 分子量: 463.01

IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide

SMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4

InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-N

InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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舒洛地尔
- ≥95%
CAS号 : 54767-75-8 Compound CID : 657255

分子式: C₂₀H₃₅NOS 分子量: 337.56

IUPAC Name: (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol

SMILES: CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O

InChIKey: BFCDFTHTSVTWOG-YLJYHZDGSA-N

InChI: InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
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Lirametostat (CPI-1205)
- 10mM in DMSO
CAS号 : 1621862-70-1(DMSO)

分子式: C₂₇H₃₃F₃N₄O₃ 分子量: 518.57

SMILES: COC1=C(CNC(=O)C2=C(C)[N](C(C)C3CCN(CC3)CC(F)(F)F)C4=C2C=CC=C4)C(=O)NC(=C1)C
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GSK126
- 2mM in DMSO
CAS号 : 1346574-57-9(DMSO)

分子式: C₃₁H₃₈N₆O₂ 分子量: 526.67

SMILES: CCC(C)[N]1C=C(C)C2=C(C=C(C=C12)C3=CC=C(N=C3)N4CCNCC4)C(=O)NCC5=C(C)C=C(C)NC5=O
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Tazemetostat (EPZ-6438)
- in 2mM DMSO
CAS号 : 1403254-99-8(DMSO)

分子式: C₃₄H₄₄N₄O₄ 分子量: 572.74

SMILES: CCN(C1CCOCC1)C2=C(C)C(=CC(=C2)C3=CC=C(CN4CCOCC4)C=C3)C(=O)NCC5=C(C)C=C(C)NC5=O
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法莫替丁
- 10mM in DMSO
CAS号 : 76824-35-6(DMSO)

分子式: C₈H₁₅N₇O₂S₃ 分子量: 337.45

SMILES: NC(=N)NC1=NC(=CS1)CSCCC(=N)N[S](N)(=O)=O
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西咪替丁
- 10mM in DMSO
CAS号 : 51481-61-9(DMSO)

分子式: C₁₀H₁₆N₆S 分子量: 252.34

SMILES: CNC(NCCSCC1=C(C)[NH]C=N1)=NC#N
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CPI-360
- ≥98%
CAS号 : 1802175-06-9 Compound CID : 73442743

分子式: C₂₅H₃₁N₃O₄ 分子量: 437.53

IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide

SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCOCC4)C)OC

InChIKey: PFPSFENQCNMITC-MRXNPFEDSA-N

InChI: InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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PF-06726304
- ≥99%
CAS号 : 1616287-82-1 Compound CID : 86723730

分子式: C₂₂H₂₁Cl₂N₃O₃ 分子量: 446.33

IUPAC Name: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one

SMILES: CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)C4=C(ON=C4C)C)Cl)C

InChIKey: PDKDOPJQPKXNCT-UHFFFAOYSA-N

InChI: InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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