按“信号通路”分类 - 小分子和化合物库

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二苯基硼酸-2-氨基乙酯
- ≥98%
CAS号: 524-95-8 EC号: 208-366-5

分子式: C₁₄H₁₆BNO 分子量: 225.09

IUPAC Name: 2-diphenylboranyloxyethanamine

SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN

InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N

InChI: 1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
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AMG-517,TRPV1拮抗剂
- ≥99%
CAS号: 659730-32-2

分子式: C₂₀H₁₃F₃N₄O₂S 分子量: 430.4

IUPAC Name: N-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide

SMILES: CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F

InChIKey: YUTIXVXZQIQWGY-UHFFFAOYSA-N

InChI: 1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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S-甲基异硫脲硫酸盐
- ≥98%
CAS号: 867-44-7 EC号: 212-759-7

分子式: C₄H₁₂N₄S₂·H₂SO₄ 分子量: 278.36

IUPAC Name: methyl carbamimidothioate;sulfuric acid

SMILES: CSC(=N)N.CSC(=N)N.OS(=O)(=O)O

InChIKey: BZZXQZOBAUXLHZ-UHFFFAOYSA-N

InChI: 1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
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甲氧氯普胺
- ≥98%
CAS号: 364-62-5 EC号: 206-662-9

分子式: C₁₄H₂₂ClN₃O₂ 分子量: 299.8

IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl

InChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-N

InChI: 1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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喹夫拉朋
- ≥98%
CAS号: 136668-42-3

分子式: C₃₄H₃₅ClN₂O₃S 分子量: 587.17

IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O

InChIKey: NZOONKHCNQFYCI-UHFFFAOYSA-N

InChI: 1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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米尔塔扎平
- ≥98%
CAS号: 85650-52-8

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2-[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基甲基硫]苯并咪唑
- ≥98%
CAS号: 103577-40-8

分子式: C₁₆H₁₄F₃N₃OS 分子量: 353.36

IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

SMILES: CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChIKey: CCHLMSUZHFPSFC-UHFFFAOYSA-N

InChI: 1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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纳曲酮
- ≥98%
CAS号: 16590-41-3

分子式: C₂₀H₂₃NO₄ 分子量: 341.4

IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O

InChIKey: DQCKKXVULJGBQN-XFWGSAIBSA-N

InChI: 1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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NPS-2143,钙敏感受体 (CaSR) 拮抗剂
- ≥98%
CAS号: 284035-33-2

分子式: C₂₄H₂₅ClN₂O₂ 分子量: 408.93

IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile

SMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O

InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N

InChI: 1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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胡椒碱
- ≥98%
CAS号: 94-62-2 EC号: 202-348-0

分子式: C₁₇H₁₉NO₃ 分子量: 285.34

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

SMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3

InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

InChI: 1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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胡椒碱
- ≥97%
CAS号: 94-62-2 EC号: 202-348-0

分子式: C₁₇H₁₉NO₃ 分子量: 285.34

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

SMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3

InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

InChI: 1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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奎尼丁
- ≥98%
- contains 5-15% Dihydroquinidine
CAS号: 56-54-2 EC号: 200-279-0

分子式: C₂₀H₂₄N₂O₂ 分子量: 324.42

IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-N

InChI: 1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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