HIV Integrase - 代谢酶/蛋白酶 - 按“信号通路”分类

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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度鲁特韦 (GSK1349572)

规格或纯度 :

Moligand™

≥99%

CAS号 : 1051375-16-6 Compound CID : 54726191

分子式: C₂₀H₁₉F₂N₃O₅ 分子量: 419.38

IUPAC Name: (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

SMILES: CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

InChIKey: RHWKPHLQXYSBKR-BMIGLBTASA-N

InChI: InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

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Elvitegravir(GS-9137,JTK-303),喹诺酮类HIV整合酶抑制剂

规格或纯度 :

Moligand™

≥99%

CAS号 : 697761-98-1 Compound CID : 5277135

分子式: C₂₃H₂₃ClFNO₅ 分子量: 447.88

IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid

SMILES: CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O

InChIKey: JUZYLCPPVHEVSV-LJQANCHMSA-N

InChI: InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1

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薰草菌素B

规格或纯度 :

≥95%

CAS号 : 125697-91-8 Compound CID : 3895

分子式: C₂₁H₁₉NO₅ 分子量: 365.4

IUPAC Name: 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid

SMILES: C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O

InChIKey: RTYOLBQXFXYMKY-UHFFFAOYSA-N

InChI: InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)

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Bis-T-23

规格或纯度 :

Moligand™

≥97%

CAS号 : 171674-76-3

分子式: C₂₃H₂₀N₄O₈ 分子量: 480.43

IUPAC Name: (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide

SMILES: C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=O)NCCCNC(=O)C(=CC2=CC(=C(C(=C2)O)O)O)C#N

InChIKey: AAPVOSBVTLGGOU-VHUAAIQRSA-N

InChI: InChI=1S/C23H20N4O8/c24-10-14(4-12-6-16(28)20(32)17(29)7-12)22(34)26-2-1-3-27-23(35)15(11-25)5-13-8-18(30)21(33)19(31)9-13/h4-9,28-33H,1-3H2,(H,26,34)(H,27,35)/b14-4+,15-5+

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度鲁特韦钠盐

规格或纯度 :

≥99%

CAS号 : 1051375-19-9 Compound CID : 46216142

分子式: C₂₀H₁₈F₂N₃NaO₅ 分子量: 441.36

IUPAC Name: sodium;(3S,7R)-13-[(2,4-difluorophenyl)methylcarbamoyl]-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-olate

SMILES: CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]

InChIKey: UGWJRRXTMKRYNK-VSLILLSYSA-M

InChI: InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/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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Bictegravir

规格或纯度 :

Moligand™

≥99%

CAS号 : 1611493-60-7 Compound CID : 90311989

分子式: C₂₁H₁₈F₃N₃O₅ 分子量: 449.38

IUPAC Name: (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide

SMILES: C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F

InChIKey: SOLUWJRYJLAZCX-LYOVBCGYSA-N

InChI: InChI=1S/C21H18F3N3O5/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)/t10-,11+,16+/m0/s1

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