按“信号通路”分类 - 小分子和化合物库

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阿扎佩隆
- ≥99%
CAS号: 1649-18-9 EC号: 216-715-8

分子式: C₁₉H₂₂FN₃O 分子量: 327.4

IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3

InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N

InChI: 1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
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阿米舒必利
- ≥98%
CAS号: 71675-85-9 EC号: 275-831-7

分子式: C₁₇H₂₇N₃O₄S 分子量: 369.48

IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide

SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC

InChIKey: NTJOBXMMWNYJFB-UHFFFAOYSA-N

InChI: 1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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阿立哌唑
- ≥99%
CAS号: 129722-12-9

分子式: C₂₃H₂₇Cl₂N₃O₂ 分子量: 448.39

IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

InChI: 1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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阿塞那平
- ≥96%
CAS号: 65576-45-6

分子式: C₁₇H₁₆ClNO 分子量: 285.77

IUPAC Name: (2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

SMILES: CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N

InChI: 1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1
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(S)-(-)-舒必利
- ≥98%
CAS号: 23672-07-3

分子式: C₁₅H₂₃N₃O₄S 分子量: 341.43

IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChIKey: BGRJTUBHPOOWDU-NSHDSACASA-N

InChI: 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
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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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MLN0905
- ≥97%
CAS号: 1228960-69-7

分子式: C₂₄H₂₅F₃N₆S 分子量: 486.56

IUPAC Name: 2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione

SMILES: CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F

InChIKey: CODBZFJPKJDNDT-UHFFFAOYSA-N

InChI: 1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)
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MK-1775,Wee1激酶小分子抑制剂
- ≥98%
CAS号: 955365-80-7

分子式: C₂₇H₃₂N₈O₂ 分子量: 500.61

IUPAC Name: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

SMILES: CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O

InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N

InChI: 1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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帕利哌酮
- ≥98%
CAS号: 144598-75-4

分子式: C₂₃H₂₇FN₄O₃ 分子量: 426.48

IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChIKey: PMXMIIMHBWHSKN-UHFFFAOYSA-N

InChI: 1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
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P276-00,CDK1、CDK4和CDK9抑制剂
- ≥98%
CAS号: 920113-03-7

分子式: C₂₁H₂₀ClNO₅.HCl 分子量: 438.3

IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;hydrochloride

SMILES: CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl

InChIKey: OOVTUOCTLAERQD-OJMBIDBESA-N

InChI: 1S/C21H20ClNO5.ClH/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3;1H/t12-,14+;/m1./s1
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普拉克索
- ≥99%
CAS号: 104632-26-0 EC号: 600-593-1

分子式: C₁₀H₁₇N₃S 分子量: 211.33

IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

SMILES: CCCNC1CCC2=C(C1)SC(=N2)N

InChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-N

InChI: 1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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