HIV Integrase - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

MK-2048,IN和INR263K抑制剂

规格或纯度 :

≥98%

CAS号 : 869901-69-9 Compound CID : 54698642

分子式: C₂₁H₂₁ClFN₅O₄ 分子量: 461.87

IUPAC Name: (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide

SMILES: CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C

InChIKey: JSRREMIKIHJGAA-JTQLQIEISA-N

InChI: InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1

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1-丁基-3-甲基咪唑双三氟甲磺酰亚胺盐（BMIMTFSI）

规格或纯度 :

≥98%

CAS号 : 174899-83-3

分子式: C₁₀H₁₅F₆N₃O₄S₂ 分子量: 419.36

IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium

SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey: INDFXCHYORWHLQ-UHFFFAOYSA-N

InChI: InChI=1S/C8H15N2.C2F6NO4S2/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1

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BMS-707035,可逆的HIV-1整合酶（IN）抑制剂

规格或纯度 :

≥98%

CAS号 : 729607-74-3 Compound CID : 54682040

分子式: C₁₇H₁₉FN₄O₅S 分子量: 410.42

IUPAC Name: 2-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

SMILES: CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O

InChIKey: VNIWZCGZPBJWBI-UHFFFAOYSA-N

InChI: InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)

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菊苣酸

规格或纯度 :

分析标准品

≥98%

CAS号 : 70831-56-0 Compound CID : 5281764

分子式: C₂₂H₁₈O₁₂ 分子量: 474.37

IUPAC Name: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid

SMILES: C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O

InChIKey: YDDGKXBLOXEEMN-IABMMNSOSA-N

InChI: InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1

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Equisetin

规格或纯度 :

≥98%

CAS号 : 57749-43-6 Compound CID : 54684703

分子式: C₂₂H₃₁NO₄ 分子量: 373.49

IUPAC Name: (3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

SMILES: CC=CC1C=CC2CC(CCC2C1(C)C(=C3C(=O)C(N(C3=O)C)CO)O)C

InChIKey: QNQBPPQLRODXET-AIMHRHHOSA-N

InChI: InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1

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2-羟基异喹啉-1,3（2H，4H）-二酮

规格或纯度 :

≥98%

CAS号 : 6890-08-0 Compound CID : 514100

分子式: C₉H₇NO₃ 分子量: 177.16

IUPAC Name: 2-hydroxy-4H-isoquinoline-1,3-dione

SMILES: C1C2=CC=CC=C2C(=O)N(C1=O)O

InChIKey: ZXAICCBFIBBVAR-UHFFFAOYSA-N

InChI: InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2

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比卡格韦钠

规格或纯度 :

≥98%

CAS号 : 1807988-02-8 Compound CID : 102593990

分子式: C₂₁H₁₈F₃N₃O₅.Na 分子量: 473.38

IUPAC Name: sodium;(1S,11R,13R)-3,6-dioxo-7-[(2,4,6-trifluorophenyl)methylcarbamoyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-dien-5-olate

SMILES: C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)[O-])C(=O)NCC5=C(C=C(C=C5F)F)F.[Na+]

InChIKey: WJNFBIVCQMPPJC-FQYDJHLKSA-M

InChI: InChI=1S/C21H18F3N3O5.Na/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28;/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30);/q;+1/p-1/t10-,11+,16+;/m0./s1

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