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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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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5-甲氧基色胺
- ≥97%
CAS号: 608-07-1 EC号: 210-153-7

分子式: C₁₁H₁₄N₂O 分子量: 190.25

IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethanamine

SMILES: COC1=CC2=C(C=C1)NC=C2CCN

InChIKey: JTEJPPKMYBDEMY-UHFFFAOYSA-N

InChI: 1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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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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普卡必利
- ≥99%
CAS号: 179474-81-8

分子式: C₁₈H₂₆ClN₃O₃ 分子量: 367.87

IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-N

InChI: 1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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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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维拉佐酮
- ≥98%
CAS号: 163521-12-8 Compound CID : 6918314

分子式: C₂₆H₂₇N₅O₂ 分子量: 441.52

IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

SMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

InChIKey: SGEGOXDYSFKCPT-UHFFFAOYSA-N

InChI: 1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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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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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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高良姜素
- ≥98%
CAS号: 548-83-4 EC号: 208-960-4

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-one

SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: VCCRNZQBSJXYJD-UHFFFAOYSA-N

InChI: 1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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高良姜素
- ≥99%
CAS号: 548-83-4 EC号: 208-960-4

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-one

SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: VCCRNZQBSJXYJD-UHFFFAOYSA-N

InChI: 1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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