按“信号通路”分类 - 小分子和化合物库

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腺嘌呤核苷
- ≥99%
- BC
CAS号: 58-61-7 EC号: 200-389-9

分子式: C₁₀H₁₃N₅O₄ 分子量: 267.24

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

InChI: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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腺嘌呤核苷
- ≥99.5%
CAS号: 58-61-7 EC号: 200-389-9

分子式: C₁₀H₁₃N₅O₄ 分子量: 267.24

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

InChI: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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瑞德南特(Preladenant)
- ≥98%
CAS号: 377727-87-2

分子式: C₂₅H₂₉N₉O₃ 分子量: 503.56

IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

SMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6

InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-N

InChI: 1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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Tozadenant,受体拮抗剂
- ≥98%
CAS号: 870070-55-6 Compound CID : 11618368

分子式: C₁₉H₂₆N₄O₄S 分子量: 406.50

IUPAC Name: 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide

SMILES: CC1(CCN(CC1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC)O

InChIKey: XNBRWUQWSKXMPW-UHFFFAOYSA-N

InChI: 1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
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托舍多特
- ≥95%
CAS号: 238750-77-1 Compound CID : 15547703

分子式: C₂₁H₃₀N₂O₆ 分子量: 406.47

IUPAC Name: cyclopentyl (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetate

SMILES: CC(C)CC(C(C(=O)NO)O)C(=O)NC(C1=CC=CC=C1)C(=O)OC2CCCC2

InChIKey: FWFGIHPGRQZWIW-SQNIBIBYSA-N

InChI: 1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1
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巴马司他
- ≥98%
CAS号: 130370-60-4

分子式: C₂₃H₃₁N₃O₄S₂ 分子量: 477.64

IUPAC Name: (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide

SMILES: CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChIKey: XFILPEOLDIKJHX-QYZOEREBSA-N

InChI: 1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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2-氯腺嘌呤核苷
- ≥99%
CAS号: 146-77-0 EC号: 205-678-3

分子式: C₁₀H₁₂ClN₅O₄ 分子量: 301.69

IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N

InChIKey: BIXYYZIIJIXVFW-UUOKFMHZSA-N

InChI: 1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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咖啡酸
- ≥98%
CAS号: 331-39-5 EC号: 206-361-2

分子式: C₉H₈O₄ 分子量: 180.16

IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

InChI: 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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咖啡酸
CAS号: 331-39-5 EC号: 206-361-2

分子式: C₉H₈O₄ 分子量: 180.16

IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

InChI: 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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收藏夹比较
咖啡酸
- ≥99%
CAS号: 331-39-5 EC号: 206-361-2

分子式: C₉H₈O₄ 分子量: 180.16

IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

InChI: 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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CTS-1027,MMP 抑制剂
- ≥99%
CAS号: 193022-04-7

分子式: C₁₉H₂₀ClNO₆S 分子量: 425.88

IUPAC Name: 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamide

SMILES: C1COCCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)NO

InChIKey: ROSNVSQTEGHUKU-UHFFFAOYSA-N

InChI: 1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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2-Cl-IB-MECA,A3激动剂
- ≥98%(HPLC)
CAS号: 163042-96-4

分子式: C₁₈H₁₈ClIN₆O₄ 分子量: 544.73

IUPAC Name: (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide

SMILES: CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O

InChIKey: IPSYPUKKXMNCNQ-PFHKOEEOSA-N

InChI: 1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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