按“信号通路”分类 - 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

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: 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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地诺前列素
- ≥95%
CAS号: 551-11-1

分子式: C₂₀H₃₄O₅ 分子量: 354.49

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

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

InChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-N

InChI: 1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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地诺前列酮
- ≥98%
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: 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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吲哚美辛 (NSC-77541)
- ≥99%
CAS号: 53-86-1 EC号: 200-186-5

分子式: C₁₉H₁₆ClNO₄ 分子量: 357.79

IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N

InChI: 1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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AZD1981,CRTh2 (DP2) 拮抗剂
- ≥98%
CAS号: 802904-66-1

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: 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

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: 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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前列腺素 D2
- ≥99%
CAS号: 41598-07-6 EC号: 636-995-9 Compound CID : 448457

分子式: C₂₀H₃₂O₅ 分子量: 352.47

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

SMILES: CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O

InChIKey: BHMBVRSPMRCCGG-OUTUXVNYSA-N

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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
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前列腺素J2
- ≥95%
- 5 mg/mL in methyl acetate
CAS号: 60203-57-8 Compound CID : 5280884

分子式: C₂₀H₃₀O₄ 分子量: 334.45

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

SMILES: CCCCCC(C=CC1C(C=CC1=O)CC=CCCCC(=O)O)O

InChIKey: UQOQENZZLBSFKO-POPPZSFYSA-N

InChI: 1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
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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 EC号: 637-219-1 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: 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

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: 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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CAY10595
- ≥97%
CAS号: 916047-16-0

分子式: C₂₀H13Cl₂FN₂O₅ 分子量: 451.23

IUPAC Name: 2-[5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid

SMILES: C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=C(C=CC(=C4)Cl)F

InChIKey: IXKFWNVFUXXEFY-UHFFFAOYSA-N

InChI: 1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)
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MK-7246
- ≥97%
CAS号: 1218918-62-7

分子式: C₂₁H₂₁FN₂O₄S 分子量: 416.47

IUPAC Name: 2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

SMILES: CN(C1CCC2=C(C3=CC=CC=C3N2C1)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

InChIKey: JTCAGRAKUAAYDY-OAHLLOKOSA-N

InChI: 1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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