HIV - 抗感染 - 按“信号通路”分类 - 小分子和化合物库

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阿巴卡韦

规格或纯度 :

Moligand™

≥98%

CAS号 : 136470-78-5 Compound CID : 441300

分子式: C₁₄H₁₈N₆O 分子量: 286.33

IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol

SMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO

InChIKey: MCGSCOLBFJQGHM-SCZZXKLOSA-N

InChI: InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1

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阿扎那韦硫酸盐

规格或纯度 :

≥98%

CAS号 : 229975-97-7 Compound CID : 158550

分子式: C₃₈H₅₂N₆O₇.H₂SO₄ 分子量: 802.93

IUPAC Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;sulfuric acid

SMILES: CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)O

InChIKey: DQSGVVGOPRWTKI-QVFAWCHISA-N

InChI: InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1

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没食子酸甲酯

规格或纯度 :

≥98%

CAS号 : 99-24-1 Compound CID : 7428

分子式: C₈H₈O₅ 分子量: 184.15

IUPAC Name: methyl 3,4,5-trihydroxybenzoate

SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O

InChIKey: FBSFWRHWHYMIOG-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

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马拉韦罗

规格或纯度 :

Moligand™

≥98%

CAS号 : 376348-65-1 Compound CID : 3002977

分子式: C₂₉H₄₁F₂N₅O 分子量: 513.67

IUPAC Name: 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

SMILES: CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C

InChIKey: GSNHKUDZZFZSJB-HLMSNRGBSA-N

InChI: InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1

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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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NBD-557,HIV-1抑制剂

规格或纯度 :

≥98%

CAS号 : 333352-59-3 Compound CID : 5279270

分子式: C₁₇H₂₄BrN₃O₂ 分子量: 382.3

IUPAC Name: N'-(4-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

SMILES: CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Br)C

InChIKey: QQRFLGRIDNNARB-UHFFFAOYSA-N

InChI: InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)

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NBD-556,CD4类似物

规格或纯度 :

≥98%

CAS号 : 333353-44-9 Compound CID : 1570601

分子式: C₁₇H₂₄ClN₃O₂ 分子量: 337.84

IUPAC Name: N'-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

SMILES: CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Cl)C

InChIKey: ZKXLQCIOURANAD-UHFFFAOYSA-N

InChI: InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)

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米替福新

规格或纯度 :

Moligand™

≥98%

CAS号 : 58066-85-6 Compound CID : 3599

分子式: C₂₁H₄₆NO₄P 分子量: 407.568

IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

InChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-N

InChI: InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3

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甲磺酸奈非那韦

规格或纯度 :

≥98%

CAS号 : 159989-65-8 Compound CID : 64142

分子式: C₃₃H₄₉N₃O₇S₂ 分子量: 663.89

IUPAC Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid

SMILES: CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O

InChIKey: NQHXCOAXSHGTIA-SKXNDZRYSA-N

InChI: InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1

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齐墩果酸

规格或纯度 :

分析标准品

Moligand™

≥98%

CAS号 : 508-02-1 Compound CID : 10494

分子式: C₃₀H₄₈O₃ 分子量: 456.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

InChI: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1

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ONX-0914 (PR-957)

规格或纯度 :

Moligand™

≥98%

CAS号 : 960374-59-8 Compound CID : 23642227

分子式: C₃₁H₄₀N₄O₇ 分子量: 580.67

IUPAC Name: (2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide

SMILES: CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4

InChIKey: WQAVPPWWLLVGFK-VTNASVEKSA-N

InChI: InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1

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