激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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WEHI-539
CAS号 : 1431866-33-9 Compound CID : 71297207

分子式: C₃₁H₂₉N₅O₃S₂ 分子量: 583.72

IUPAC Name: 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid

SMILES: C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)C(=NNC5=NC6=CC=CC=C6S5)C1

InChIKey: JKMWZKPAXZBYEH-JWHWKPFMSA-N

InChI: InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+

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(S)-AMPA
- ≥98%
CAS号 : 83643-88-3

分子式: C₇H₁₀N₂O₄ 分子量: 186.17

IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid

SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N

InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N

InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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A-1155463,BCL-XL抑制剂
- ≥97%
CAS号 : 1235034-55-5 Compound CID : 59447577

分子式: C₃₅H₃₂FN₅O₄S₂ 分子量: 669.79

IUPAC Name: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid

SMILES: CN(C)CC#CC1=CC(=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=C(C3)C(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O)F

InChIKey: SOYCFODXNRVBTI-UHFFFAOYSA-N

InChI: InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
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ABT-263,小分子Bcl-2家族蛋白抑制剂
- ≥98%
CAS号 : 923564-51-6 Compound CID : 24978538

分子式: C₄₇H₅₅ClF₃N₅O₆S₃ 分子量: 974.61

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

SMILES: CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

InChIKey: JLYAXFNOILIKPP-KXQOOQHDSA-N

InChI: InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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Venetoclax (ABT-199)
- 10mM in DMSO
CAS号 : 1257044-40-8(DMSO)

分子式: C₄₅H₅₀ClN₇O₇S 分子量: 868.44

SMILES: CC1(C)CCC(=C(C1)C2=CC=C(Cl)C=C2)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)N[S](=O)(=O)C5=CC=C(NCC6CCOCC6)C(=C5)[N+]([O-])=O)OC7=CN=C8[NH]C=CC8=C7
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Navitoclax (ABT-263)
- 10mM in DMSO
CAS号 : 923564-51-6(DMSO)

分子式: C₄₇H₅₅ClF₃N₅O₆S₃ 分子量: 974.61

SMILES: CC1(C)CCC(=C(CN2CCN(CC2)C3=CC=C(C=C3)C(=O)N[S](=O)(=O)C4=CC(=C(NC(CCN5CCOCC5)CSC6=CC=CC=C6)C=C4)[S](=O)(=O)C(F)(F)F)C1)C7=CC=C(Cl)C=C7
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ABT-737
- 10mM in DMSO
CAS号 : 852808-04-9(DMSO)

分子式: C₄₂H₄₅ClN₆O₅S₂ 分子量: 813.43

SMILES: CN(C)CCC(CSC1=CC=CC=C1)NC2=CC=C(C=C2[N+]([O-])=O)[S](=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(C=CC=C5)C6=CC=C(Cl)C=C6
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吡拉西坦
- 10mM in DMSO
CAS号 : 7491-74-9(DMSO)

分子式: C₆H₁₀N₂O₂ 分子量: 142.16

SMILES: NC(=O)CN1CCCC1=O
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阿尼西坦
- 10mM in DMSO
CAS号 : 72432-10-1(DMSO)

分子式: C₁₂H₁₃NO₃ 分子量: 219.24

SMILES: COC1=CC=C(C=C1)C(=O)N2CCCC2=O
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S55746
- ≥98%
CAS号 : 1448584-12-0 Compound CID : 71654876

分子式: C₄₃H₄₂N₄O₆ 分子量: 710.82

IUPAC Name: N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

SMILES: C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1

InChIKey: VYXJULKGMXJVGI-XIFFEERXSA-N

InChI: InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
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Ampalex
- 10mM in DMSO
CAS号 : 154235-83-3 Compound CID : 148184

分子式: C₁₄H₁₅N₃O 分子量: 241.29

IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone

SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2

InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N

InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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棉子酚
- 10mM in DMSO
CAS号 : 303-45-7 Compound CID : 3503

分子式: C₃₀H₃₀O₈ 分子量: 518.55

IUPAC Name: 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O

InChIKey: QBKSWRVVCFFDOT-UHFFFAOYSA-N

InChI: InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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