激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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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: 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)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
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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: 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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绿原酸
- ≥98%
CAS号 : 327-97-9 Compound CID : 1794427

分子式: C₁₆H₁₈O₉ 分子量: 354.31

IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O

InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-N

InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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4-香豆酸
- ≥98%
CAS号 : 501-98-4 Compound CID : 637542

分子式: C₉H₈O₃ 分子量: 164.16

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

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

InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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AT13387,Hsp90抑制剂
- ≥98%
CAS号 : 912999-49-6 Compound CID : 11955716

分子式: C₂₄H₃₁N₃O₃ 分子量: 409.52

IUPAC Name: (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone

SMILES: CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C

InChIKey: IFRGXKKQHBVPCQ-UHFFFAOYSA-N

InChI: InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
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Ganetespib(STA-9090),Hsp90抑制剂
- ≥98%
CAS号 : 888216-25-9 Compound CID : 135564985

分子式: C₂₀H₂₀N₄O₃ 分子量: 364.4

IUPAC Name: 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-one

SMILES: CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O

InChIKey: RVAQIUULWULRNW-UHFFFAOYSA-N

InChI: InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)
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Ponalrestat
- ≥95%
CAS号 : 72702-95-5 Compound CID : 5278

分子式: C₁₇H₁₂BrFN₂O₃ 分子量: 391.2

IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid

SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

InChIKey: LKBFFDOJUKLQNY-UHFFFAOYSA-N

InChI: InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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VER-49009
- ≥98%
CAS号 : 940289-57-6 Compound CID : 4369536

分子式: C₁₉H₁₈ClN₃O₄ 分子量: 387.8

IUPAC Name: 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

SMILES: CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC

InChIKey: HUNAOTXNHVALTN-UHFFFAOYSA-N

InChI: InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
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VER-50589
- ≥98%
CAS号 : 747413-08-7 Compound CID : 135446210

分子式: C₁₉H₁₇ClN₂O₅ 分子量: 388.8

IUPAC Name: 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

SMILES: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3O)O)Cl

InChIKey: JXPCDMPJCKNLBY-UHFFFAOYSA-N

InChI: InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
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Tanespimycin (17-AAG)
- 10mM in DMSO
CAS号 : 75747-14-7(DMSO)

分子式: C₃₁H₄₃N₃O₈ 分子量: 585.69

SMILES: COC1CC(C)CC2=C(NCC=C)C(=O)C=C(NC(=O)C(=C\C=C/C(OC)C(OC(N)=O)/C(=C/C(C)C1O)C)\C)C2=O
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Onalespib (AT13387)
- 10mM in DMSO
CAS号 : 912999-49-6(DMSO)

分子式: C₂₄H₃₁N₃O₃ 分子量: 409.52

SMILES: CC(C)C1=C(O)C=C(O)C(=C1)C(=O)N2CC3=C(C2)C=C(CN4CCN(C)CC4)C=C3
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Ganetespib (STA-9090)
- 10mM in DMSO
CAS号 : 888216-25-9(DMSO)

分子式: C₂₀H₂₀N₄O₃ 分子量: 364.4

SMILES: CC(C)C1=C(O)C=C(O)C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)[N](C)C=C4
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