免疫配体 - 小分子和化合物库

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OC000459,前列腺素受体D2拮抗剂
- ≥98%
CAS号 : 851723-84-7 Compound CID : 11462174

分子式: C₂₁H₁₇FN₂O₂ 分子量: 348.37

IUPAC Name: 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid

SMILES: CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3

InChIKey: FATGTHLOZSXOBC-UHFFFAOYSA-N

InChI: InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
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依鲁替尼 (PCI-32765)
- ≥98%
CAS号 : 936563-96-1 Compound CID : 24821094

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5

IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N

InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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普纳替尼 (AP24534)
- ≥99%
CAS号 : 943319-70-8 Compound CID : 24826799

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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达沙替尼
- ≥99%
CAS号 : 302962-49-8

分子式: C₂₂H₂₆ClN₇O₂S 分子量: 488.01

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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AZD1981,CRTh2 (DP2) 拮抗剂
- ≥98%
CAS号 : 802904-66-1 Compound CID : 11292191

分子式: C₁₉H₁₇ClN₂O₃S 分子量: 388.87

IUPAC Name: 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid

SMILES: CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)Cl

InChIKey: JWYIGNODXSRKGP-UHFFFAOYSA-N

InChI: InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)
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CAY10471,CRTH2 / DP 2拮抗剂
- ≥98%
CAS号 : 627865-18-3 Compound CID : 11384493

分子式: C₂₁H₂₁FN₂O₄S 分子量: 416.5

IUPAC Name: 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

SMILES: CN(C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

InChIKey: CANCTKXGRVNXFP-UHFFFAOYSA-N

InChI: InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)
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9,11-二脱氧基-11α,9α-亚甲基环氧前列腺素 F2α
- ≥98%
- 10 mg/mL in methyl acetate
CAS号 : 56985-40-1 Compound CID : 5311493

分子式: C₂₁H₃₄O₄ 分子量: 350.49

IUPAC Name: (Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O

InChIKey: LQANGKSBLPMBTJ-BRSNVKEHSA-N

InChI: InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
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AMG 853,双重CRTH2和前列腺素D2（PGD2）受体拮抗剂
- ≥98%(HPLC)
CAS号 : 1169483-24-2 Compound CID : 42641863

分子式: C₂₈H₂₇Cl₂FN₂O₆S 分子量: 609.49

IUPAC Name: 2-[4-[4-(tert-butylcarbamoyl)-2-[(2-chloro-4-cyclopropylphenyl)sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acid

SMILES: CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)F)CC(=O)O)Cl)NS(=O)(=O)C3=C(C=C(C=C3)C4CC4)Cl

InChIKey: PFWVGKROPKKEDW-UHFFFAOYSA-N

InChI: InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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Setipiprant (ACT-129968)
- ≥98%
CAS号 : 866460-33-5 Compound CID : 49843471

分子式: C₂₄H₁₉FN₂O₃ 分子量: 402.43

IUPAC Name: 2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid

SMILES: C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

InChIKey: IHAXLPDVOWLUOS-UHFFFAOYSA-N

InChI: InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)
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OC000459
- 10mM in DMSO
CAS号 : 851723-84-7 Compound CID : 11462174

分子式: C₂₁H₁₇FN₂O₂ 分子量: 348.37

IUPAC Name: 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid

SMILES: CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3

InChIKey: FATGTHLOZSXOBC-UHFFFAOYSA-N

InChI: InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
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Setipiprant (ACT-129968)
- 10mM in DMSO
CAS号 : 866460-33-5 Compound CID : 49843471

分子式: C₂₄H₁₉FN₂O₃ 分子量: 402.43

IUPAC Name: 2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid

SMILES: C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

InChIKey: IHAXLPDVOWLUOS-UHFFFAOYSA-N

InChI: InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)
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前列腺素 E₂
- ≥93%(HPLC)
CAS号 : 363-24-6

分子式: C₂₀H₃₂O₅ 分子量: 352.47

IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N

InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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