按“信号通路”分类 - 小分子和化合物库

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硝苯地平
- ≥98%(HPLC)
CAS号: 21829-25-4 EC号: 244-598-3

分子式: C₁₇H₁₈N₂O₆ 分子量: 346.33

IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N

InChI: 1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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NU7026,可逆的DNA-PK抑制剂
- ≥98%
CAS号: 154447-35-5

分子式: C₁₇H₁₅NO₃ 分子量: 281.31

IUPAC Name: 2-morpholin-4-ylbenzo[h]chromen-4-one

SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3

InChIKey: KKTZALUTXUZPSN-UHFFFAOYSA-N

InChI: 1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）
- ≥98%
CAS号: 870653-45-5 EC号: 635-565-8

分子式: C₂₁H₁₈O₅ 分子量: 350.36

IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N

InChI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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PI-103,PI3K 和 mTOR 抑制剂
- ≥98%
CAS号: 371935-74-9

分子式: C₁₉H₁₆N₄O₃ 分子量: 348.36

IUPAC Name: 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol

SMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O

InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N

InChI: 1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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PP121,酪氨酸和磷酸肌醇激酶的双重抑制剂
- ≥98%
CAS号: 1092788-83-4

分子式: C₁₇H₁₇N₇ 分子量: 319.36

IUPAC Name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

SMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N

InChIKey: NVRXTLZYXZNATH-UHFFFAOYSA-N

InChI: 1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
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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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Torin 1,mTOR抑制剂
- ≥97%
CAS号: 1222998-36-8 Compound CID : 49836027

分子式: C₃₅H₂₈F₃N₅O₂ 分子量: 607.62

IUPAC Name: 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

SMILES: CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F

InChIKey: AKCRNFFTGXBONI-UHFFFAOYSA-N

InChI: 1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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Torin 2,mTOR抑制剂
- ≥98%
CAS号: 1223001-51-1 Compound CID : 51358113

分子式: C₂₄H₁₅F₃N₄O 分子量: 432.4

IUPAC Name: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F

InChIKey: GUXXEUUYCAYESJ-UHFFFAOYSA-N

InChI: 1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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VE-821,ATR抑制剂
- ≥98%
CAS号: 1232410-49-9 Compound CID : 51000408

分子式: C₁₈H₁₆N₄O₃S 分子量: 368.41

IUPAC Name: 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N

InChIKey: DUIHHZKTCSNTGM-UHFFFAOYSA-N

InChI: 1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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渥曼青霉素
- ≥98%
CAS号: 19545-26-7 Compound CID : 312145

分子式: C₂₃H₂₄O₈ 分子量: 428.43

IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C

InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N

InChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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天然辣椒碱
- ≥95%(HPLC)
- from Capsicum sp.
CAS号: 404-86-4 EC号: 206-969-8

分子式: C₁₈H₂₇NO₃ 分子量: 305.41

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N

InChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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天然辣椒碱
- ≥60%(HPLC)
CAS号: 404-86-4 EC号: 206-969-8

分子式: C₁₈H₂₇NO₃ 分子量: 305.41

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N

InChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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