激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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DL-α-氨基己二酸
- ≥96%
CAS号 : 542-32-5 Compound CID : 469

分子式: C₆H₁₁NO₄ 分子量: 161.16

IUPAC Name: 2-aminohexanedioic acid

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

InChIKey: OYIFNHCXNCRBQI-UHFFFAOYSA-N

InChI: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
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(+)-假木贼碱盐酸盐
- ≥96%
CAS号 : 53912-89-3

分子式: C₁₀H₁₅ClN₂ 分子量: 198.69

IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine;hydrochloride

SMILES: C1CCNC(C1)C2=CN=CC=C2.Cl

InChIKey: VTMZQNZVYCJLGG-PPHPATTJSA-N

InChI: InChI=1S/C10H14N2.ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h3-4,6,8,10,12H,1-2,5,7H2;1H/t10-;/m0./s1
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拉曲吡啶二盐酸盐
- ≥96%
CAS号 : 97657-92-6 Compound CID : 23729232

分子式: C₂₁H₂₅N₃·2HCl 分子量: 392.37

IUPAC Name: 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride

SMILES: CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C.Cl.Cl

InChIKey: GTWLIQOLGOZTLF-UHFFFAOYSA-N

InChI: InChI=1S/C21H25N3.2ClH/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H
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Mastoparan 17,蜂毒肽
- ≥96%
CAS号 : 145854-61-1 Compound CID : 71312157

分子式: C₇₀H₁₃₂N₂₀O₁₅ 分子量: 1493.92

IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]butanediamide

SMILES: CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)N

InChIKey: TUCDQOGRFHOSKG-ZWFWRLIFSA-N

InChI: InChI=1S/C70H132N20O15/c1-15-41(10)56(76)70(105)90-54(36-55(75)91)69(104)89-52(34-39(6)7)67(102)85-47(25-17-21-29-72)63(98)80-44(13)59(94)82-46(24-16-20-28-71)62(97)79-42(11)58(93)78-43(12)61(96)87-51(33-38(4)5)66(101)81-45(14)60(95)83-48(26-18-22-30-73)64(99)84-49(27-19-23-31-74)65(100)88-53(35-40(8)9)68(103)86-50(57(77)92)32-37(2)3/h37-54,56H,15-36,71-74,76H2,1-14H3,(H2,75,91)(H2,77,92)(H,78,93)(H,79,97)(H,80,98)(H,81,101)(H,82,94)(H,83,95)(H,84,99)(H,85,102)(H,86,103)(H,87,96)(H,88,100)(H,89,104)(H,90,105)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1
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Mc-MMAD，强效微管蛋白抑制剂
- ≥96%
CAS号 : 1401963-15-2 Compound CID : 78357802

分子式: C₅₁H₇₇N₇O₉S 分子量: 964.26

IUPAC Name: 6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide

SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O

InChIKey: OZUQLKHIIRUJRZ-PGBUMTRMSA-N

InChI: InChI=1S/C51H77N7O9S/c1-12-34(6)46(56(9)51(65)44(32(2)3)54-49(64)45(33(4)5)55(8)40(59)23-17-14-18-27-58-41(60)24-25-42(58)61)39(66-10)31-43(62)57-28-19-22-38(57)47(67-11)35(7)48(63)53-37(50-52-26-29-68-50)30-36-20-15-13-16-21-36/h13,15-16,20-21,24-26,29,32-35,37-39,44-47H,12,14,17-19,22-23,27-28,30-31H2,1-11H3,(H,53,63)(H,54,64)/t34-,35+,37-,38-,39+,44-,45-,46-,47+/m0/s1
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Nucleozin
- ≥96%
CAS号 : 341001-38-5 Compound CID : 2863945

分子式: C₂₁H₁₉ClN₄O₄ 分子量: 426.85

IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChIKey: OWXBJAPOSQSWAO-UHFFFAOYSA-N

InChI: InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
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双羟萘酸噻嘧啶
- ≥96%
CAS号 : 22204-24-6 Compound CID : 5281033

分子式: C₁₁H₁₄N₂S·C₂₃H₁₆O₆ 分子量: 594.68

IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine

SMILES: CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChIKey: AQXXZDYPVDOQEE-MXDQRGINSA-N

InChI: InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+
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枸橼酸喷托维林
- ≥96%
CAS号 : 23142-01-0 Compound CID : 90010

分子式: C₂₀H₃₁NO₃·C₆H₈O₇ 分子量: 525.59

IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid

SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChIKey: AKJDEXBCRLOVTH-UHFFFAOYSA-N

InChI: InChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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PF-2545920,PDE10A抑制剂
- ≥96%
CAS号 : 1292799-56-4 Compound CID : 11581936

分子式: C₂₅H₂₀N₄O 分子量: 392.45

IUPAC Name: 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline

SMILES: CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChIKey: AZEXWHKOMMASPA-UHFFFAOYSA-N

InChI: InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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Ro 31-8220 甲磺酸盐
- ≥96%
CAS号 : 138489-18-6 Compound CID : 11628205

分子式: C₂₅H₂₃N₅O₂S·CH₄O₃S 分子量: 553.65

IUPAC Name: methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N.CS(=O)(=O)O

InChIKey: SAWVGDJBSPLRRB-UHFFFAOYSA-N

InChI: InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)
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番泻叶苷A
- ≥96%
CAS号 : 81-27-6 Compound CID : 73111

分子式: C₄₂H₃₈O₂₀ 分子量: 862.74

IUPAC Name: (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid

SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O

InChIKey: IPQVTOJGNYVQEO-KGFNBKMBSA-N

InChI: InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
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SD-06,p38α MAPK 的二芳基吡唑抑制剂
- ≥96%
CAS号 : 271576-80-8 Compound CID : 9865587

分子式: C₂₀H₂₀ClN₅O₂ 分子量: 397.87

IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone

SMILES: C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO

InChIKey: CATQHDWESBRRQA-UHFFFAOYSA-N

InChI: InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
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