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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AZ 3146,强力Mps1激酶抑制剂
- ≥98%
CAS号: 1124329-14-1

分子式: C₂₄H₃₂N₆O₃ 分子量: 452.55

IUPAC Name: 9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one

SMILES: CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)OC

InChIKey: YUKWVHPTFRQHMF-UHFFFAOYSA-N

InChI: 1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)
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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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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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逆转素
- ≥97%(HPLC)
CAS号: 656820-32-5 Compound CID : 210332

分子式: C₂₁H₂₇N₇O 分子量: 393.49

IUPAC Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

SMILES: C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

InChIKey: ZFLJHSQHILSNCM-UHFFFAOYSA-N

InChI: 1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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Ro3280,PLK1抑制剂
- ≥99%
CAS号: 1062243-51-9 Compound CID : 25015677

分子式: C₂₇H₃₅F₂N₇O₃ 分子量: 543.61

IUPAC Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC

InChIKey: DJNZZLZKAXGMMC-UHFFFAOYSA-N

InChI: 1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
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SB705498,hTRPV1拮抗剂
- ≥98%
CAS号: 501951-42-4 Compound CID : 9910486

分子式: C₁₇H₁₆BrF₃N₄O 分子量: 429.23

IUPAC Name: 1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea

SMILES: C1CN(CC1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)F

InChIKey: JYILLRHXRVTRSH-GFCCVEGCSA-N

InChI: 1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
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油酰单乙醇胺
- ≥95%
CAS号: 111-58-0 EC号: 203-884-8

分子式: C₂₀H₃₉NO₂ 分子量: 325.529

IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamide

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCO

InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N

InChI: 1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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BCTC,TRPV1的抑制剂
- ≥98%
CAS号: 393514-24-4

分子式: C₂₀H₂₅ClN₄O 分子量: 372.892

IUPAC Name: N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide

SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

InChIKey: ROGUAPYLUCHQGK-UHFFFAOYSA-N

InChI: 1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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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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