按“信号通路”分类 - 小分子和化合物库

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17-AAG,HSP90抑制剂
- ≥98%
CAS号: 75747-14-7

分子式: C₃₁H₄₃N₃O₈ 分子量: 585.69

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC

InChIKey: AYUNIORJHRXIBJ-TXHRRWQRSA-N

InChI: 1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(HSee more
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阿螺旋霉素
- ≥98%
CAS号: 467214-20-6

分子式: C₃₂H₄₈N₄O₈ 分子量: 616.75

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC

InChIKey: KUFRQPKVAWMTJO-LMZWQJSESA-N

InChI: 1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,4See more
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α-倒捻子素
- ≥98%(HPLC)
CAS号: 6147-11-1 EC号: 448-420-7

分子式: C₂₄H₂₆O₆ 分子量: 410.46

IUPAC Name: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one

SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C

InChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-N

InChI: 1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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NVP-AUY922
- ≥98%
CAS号: 747412-49-3

分子式: C₂₆H₃₁N₃O₅ 分子量: 465.54

IUPAC Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

SMILES: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C

InChIKey: NDAZATDQFDPQBD-UHFFFAOYSA-N

InChI: 1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
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去甲二氢愈创木酸
- ≥95%
CAS号: 500-38-9

分子式: C₁₈H₂₂O₄ 分子量: 302.37

IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

InChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-N

InChI: 1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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菲尼酮
- ≥98.5%
CAS号: 92-43-3 EC号: 202-155-1

分子式: C₉H₁₀N₂O 分子量: 162.19

IUPAC Name: 1-phenylpyrazolidin-3-one

SMILES: C1CN(NC1=O)C2=CC=CC=C2

InChIKey: CMCWWLVWPDLCRM-UHFFFAOYSA-N

InChI: 1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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PU-H71,Hsp90抑制剂
- ≥98%
CAS号: 873436-91-0

分子式: C₁₈H₂₁IN₆O₂S 分子量: 512.37

IUPAC Name: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine

SMILES: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N

InChIKey: SUPVGFZUWFMATN-UHFFFAOYSA-N

InChI: 1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
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槲皮素
- ≥98.5%
CAS号: 117-39-5 EC号: 204-187-1

分子式: C₁₅H₁₀O₇ 分子量: 302.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

InChI: 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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槲皮素
- ≥95%
CAS号: 117-39-5 EC号: 204-187-1

分子式: C₁₅H₁₀O₇ 分子量: 302.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

InChI: 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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根赤壳菌素
- ≥98%
CAS号: 12772-57-5 Compound CID : 6323491

分子式: C₁₈H₁₇ClO₆ 分子量: 364.78

IUPAC Name: (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

SMILES: CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1

InChIKey: WYZWZEOGROVVHK-GTMNPGAYSA-N

InChI: 1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
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硝酸舍他康唑
- ≥98%
CAS号: 99592-39-9 Compound CID : 200103

分子式: C₂₀H₁₅Cl₃N₂OS·HNO₃ 分子量: 500.78

IUPAC Name: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

SMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]

InChIKey: HAAITRDZHUANGT-UHFFFAOYSA-N

InChI: 1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)
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硫康唑硝酸盐
- ≥95%
CAS号: 61318-91-0 Compound CID : 65495

分子式: C₁₈H₁₅Cl₃N₂S·HNO₃ 分子量: 460.76

IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

SMILES: C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

InChIKey: CRKGMGQUHDNAPB-UHFFFAOYSA-N

InChI: 1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
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