HSP - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

17-AAG,HSP90抑制剂

规格或纯度 :

≥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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阿螺旋霉素

规格或纯度 :

Moligand™

≥98%

CAS号 : 467214-20-6 Compound CID : 5288674

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: 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,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

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NVP-AUY922

规格或纯度 :

Moligand™

≥98%

CAS号 : 747412-49-3 Compound CID : 135539077

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: 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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芍药苷

规格或纯度 :

分析标准品

≥98%

CAS号 : 23180-57-6 Compound CID : 442534

分子式: C₂₃H₂₈O₁₁ 分子量: 480.46

IUPAC Name: [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

SMILES: C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]5(COC(=O)c4ccccc4)[C@H]3C[C@]25O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

InChI: InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1

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PF-04929113(SNX-5422),Hsp90抑制剂

规格或纯度 :

≥98%

CAS号 : 908115-27-5 Compound CID : 44195571

分子式: C₂₅H₃₀F₃N₅O₄ 分子量: 521.54

IUPAC Name: [4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate

SMILES: CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C

InChIKey: AVDSOVJPJZVBTC-UHFFFAOYSA-N

InChI: InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)

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PU-H71,Hsp90抑制剂

规格或纯度 :

Moligand™

≥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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BIIB021,HSP90抑制剂

规格或纯度 :

Moligand™

≥98%

CAS号 : 848695-25-0 Compound CID : 16736529

分子式: C₁₄H₁₅ClN₆O 分子量: 318.77

IUPAC Name: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine

SMILES: CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N

InChIKey: QULDDKSCVCJTPV-UHFFFAOYSA-N

InChI: InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)

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17-DMAG（阿维斯霉素）盐酸盐

规格或纯度 :

≥98%

CAS号 : 467214-21-7 Compound CID : 9852573

分子式: C₃₂H₄₈N₄O₈•HCl 分子量: 653.21

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;hydrochloride

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.Cl

InChIKey: DFSYBWLNYPEFJK-IHLRWNDRSA-N

InChI: InChI=1S/C32H48N4O8.ClH/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,(H2,33,41)(H,35,40);1H/b11-9-,19-10+,21-16+;/t18-,20+,25+,26+,28-,30+;/m1./s1

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AT13387,Hsp90抑制剂

规格或纯度 :

≥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

规格或纯度 :

≥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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异噁唑

规格或纯度 :

≥98%

CAS号 : 288-14-2 Compound CID : 9254

分子式: C₃H₃NO 分子量: 69.06

IUPAC Name: 1,2-oxazole

SMILES: C1=CON=C1

InChIKey: CTAPFRYPJLPFDF-UHFFFAOYSA-N

InChI: InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H

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KW-2478

规格或纯度 :

≥98%

CAS号 : 819812-04-9 Compound CID : 23116322

分子式: C₃₀H₄₂N₂O₉ 分子量: 574.66

IUPAC Name: 2-[2-ethyl-3,5-dihydroxy-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)benzoyl]phenyl]-N,N-bis(2-methoxyethyl)acetamide

SMILES: CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC

InChIKey: VFUXSYAXEKYYMB-UHFFFAOYSA-N

InChI: InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3

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