激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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PKI-402
- ≥98%
CAS号 : 1173204-81-3 Compound CID : 44187953

分子式: C₂₉H₃₄N₁₀O₃ 分子量: 570.65

IUPAC Name: 1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

SMILES: CCN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C)N6CCOCC6)N=N1

InChIKey: ZAXFYGBKZSQBIV-UHFFFAOYSA-N

InChI: InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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PIK-294
- ≥98%
CAS号 : 900185-02-6 Compound CID : 24905149

分子式: C₂₈H₂₃N₇O₂ 分子量: 489.53

IUPAC Name: 2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

SMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N

InChIKey: WFSLJOPRIJSOJR-UHFFFAOYSA-N

InChI: InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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Pilaralisib (XL147)
- ≥98%
CAS号 : 934526-89-3 Compound CID : 56599306

分子式: C₂₅H₂₅ClN₆O₄S 分子量: 541.02

IUPAC Name: 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide

SMILES: CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N

InChIKey: QINPEPAQOBZPOF-UHFFFAOYSA-N

InChI: InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
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SB 265610,CXCR2拮抗剂
- ≥98%(HPLC)
CAS号 : 211096-49-0 Compound CID : 9841667

分子式: C₁₄H₉BrN₆O 分子量: 357.16

IUPAC Name: 1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)urea

SMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C3=NNN=C23)C#N)Br

InChIKey: SEDUMQWZEOMXSO-UHFFFAOYSA-N

InChI: InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
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SB 332235,CXCR2拮抗剂
- ≥98%(HPLC)
CAS号 : 276702-15-9 Compound CID : 9887803

分子式: C₁₃H₁₀Cl₃N₃O₄S 分子量: 410.66

IUPAC Name: 1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea

SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O

InChIKey: WTLRWOHEKQGKDS-UHFFFAOYSA-N

InChI: InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
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NVP CXCR2 20,CXCR2拮抗剂
- ≥98%(HPLC)
CAS号 : 1029521-30-9 Compound CID : 135907764

分子式: C₁₅H₁₁F₂N₃OS 分子量: 319.33

IUPAC Name: 4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile

SMILES: C1CC1C2=C(C(=O)NC(=N2)SCC3=C(C(=CC=C3)F)F)C#N

InChIKey: PHHZYKZFEBRXAL-UHFFFAOYSA-N

InChI: InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)
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AZ 10397767,CXCR2拮抗剂
- ≥98%(HPLC)
CAS号 : 333742-63-5 Compound CID : 11858154

分子式: C₁₅H₁₄ClFN₄O₂S₂ 分子量: 400.88

IUPAC Name: 5-[(3-chloro-2-fluorophenyl)methylsulfanyl]-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

SMILES: CC(CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)Cl)F

InChIKey: KHTUORKUWBDRBX-SSDOTTSWSA-N

InChI: InChI=1S/C15H14ClFN4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
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Idelalisib (CAL-101, GS-1101)
- 10mM in DMSO
CAS号 : 870281-82-6(DMSO)

分子式: C₂₂H₁₈FN₇O 分子量: 415.42

SMILES: CCC(NC1=C2N=C[NH]C2=NC=N1)C3=NC4=CC=CC(=C4C(=O)N3C5=CC=CC=C5)F
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CH5132799
- 10mM in DMSO
CAS号 : 1007207-67-1(DMSO)

分子式: C₁₅H₁₉N₇O₃S 分子量: 377.42

SMILES: C[S](=O)(=O)N1CCC2=C(N=C(N=C12)N3CCOCC3)C4=CN=C(N)N=C4
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Duvelisib (IPI-145)
- 10mM in DMSO
CAS号 : 1201438-56-3(DMSO)

分子式: C₂₂H₁₇ClN₆O 分子量: 416.86

SMILES: CC(NC1=NC=NC2=C1N=C[NH]2)C3=CC4=CC=CC(=C4C(=O)N3C5=CC=CC=C5)Cl
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Eganelisib (IPI-549)
- 10mM in DMSO
CAS号 : 1693758-51-8(DMSO)

分子式: C₃₀H₂₄N₈O₂ 分子量: 528.56

SMILES: CC(NC(=O)C1=C2N=CC=C[N]2N=C1N)C3=CC4=CC=CC(=C4C(=O)N3C5=CC=CC=C5)C#CC6=C[N](C)N=C6
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Pictilisib (GDC-0941)
- 10mM in DMSO
CAS号 : 957054-30-7(DMSO)

分子式: C₂₃H₂₇N₇O₃S₂ 分子量: 513.64

SMILES: C[S](=O)(=O)N1CCN(CC1)CC2=CC3=NC(=NC(=C3S2)N4CCOCC4)C5=CC=CC6=C5C=N[NH]6
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