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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石胆酸
- ≥95%
CAS号: 434-13-9 EC号: 207-099-1

分子式: C₂₄H₄₀O₃ 分子量: 376.57

IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

InChIKey: SMEROWZSTRWXGI-HVATVPOCSA-N

InChI: 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
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马沙骨化醇
- ≥97%
CAS号: 103909-75-7 Compound CID : 6398761

分子式: C₂₆H₄₂O₄ 分子量: 418.62

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

SMILES: CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O

InChIKey: DTXXSJZBSTYZKE-ZDQKKZTESA-N

InChI: 1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/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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帕立骨化醇
- ≥99%
CAS号: 131918-61-1 Compound CID : 5281104

分子式: C₂₇H₄₄O₃ 分子量: 416.64

IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

SMILES: CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C

InChIKey: BPKAHTKRCLCHEA-UBFJEZKGSA-N

InChI: 1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
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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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西奥骨化醇
- ≥99%
CAS号: 134404-52-7 Compound CID : 5288149

分子式: C₃₀H₄₆O₃ 分子量: 454.7

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

SMILES: CCC(CC)(C=CC=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O

InChIKey: LVLLALCJVJNGQQ-SEODYNFXSA-N

InChI: 1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,2See more
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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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维生素D3
CAS号: 67-97-0 EC号: 200-673-2

分子式: C₂₇H₄₄O 分子量: 384.64

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
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