Beta-lactamase - 抗感染 - 按“信号通路”分类 - 小分子和化合物库

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Pracinostat (SB939),HDAC抑制剂

规格或纯度 :

Moligand™

≥98%

CAS号 : 929016-96-6 Compound CID : 49855250

分子式: C₂₀H₃₀N₄O₂ 分子量: 358.48

IUPAC Name: (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide

SMILES: CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO

InChIKey: JHDKZFFAIZKUCU-ZRDIBKRKSA-N

InChI: InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+

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邻氯西林钠一水合物

规格或纯度 :

≥98%

CAS号 : 7081-44-9 Compound CID : 23675743

分子式: C₁₉H₁₇ClN₃O₅SNa · H₂O 分子量: 457.86(as Anhydrous)

IUPAC Name: sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate

SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]

InChIKey: KCUWTKOTPIUBRI-VICXVTCVSA-M

InChI: InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

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Avibactam free acid

规格或纯度 :

Moligand™

≥98%

CAS号 : 1192500-31-4 Compound CID : 9835049

分子式: C₇H₁₁N₃O₆S 分子量: 265.24

IUPAC Name: [(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

SMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N

InChIKey: NDCUAPJVLWFHHB-UHNVWZDZSA-N

InChI: InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1

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7-氨基头孢烷酸

规格或纯度 :

≥98%

CAS号 : 957-68-6 Compound CID : 441328

分子式: C₁₀H₁₂N₂O₅S 分子量: 272.28

IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES: CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChIKey: HSHGZXNAXBPPDL-HZGVNTEJSA-N

InChI: InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1

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头孢噻吩

规格或纯度 :

Moligand™

≥98%

CAS号 : 153-61-7 Compound CID : 6024

分子式: C₁₆H₁₆N₂O₆S₂ 分子量: 396.4

IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChIKey: XIURVHNZVLADCM-IUODEOHRSA-N

InChI: InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1

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阿维巴坦钠

规格或纯度 :

≥98%

CAS号 : 1192491-61-4 Compound CID : 24944097

分子式: C₇H₁₀N₃O₆·Na 分子量: 287.23

IUPAC Name: sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate

SMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]

InChIKey: RTCIKUMODPANKX-JBUOLDKXSA-M

InChI: InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1

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盐酸依拉环素

规格或纯度 :

Moligand™

≥98%

CAS号 : 1334714-66-7

分子式: C₂₇H₃₃Cl₂FN₄O₈ 分子量: 631.48

IUPAC Name: (4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrochloride

SMILES: CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F.Cl.Cl

InChIKey: XIBSSTYDNTVAEU-RZVFYPHASA-N

InChI: InChI=1S/C27H31FN4O8.2ClH/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39;;/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33);2*1H/t11-,13-,20-,27-;;/m0../s1

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K252C,蛋白激酶C抑制剂

规格或纯度 :

≥98%

CAS号 : 85753-43-1 Compound CID : 3815

分子式: C₂₀H₁₃N₃O 分子量: 311.34

IUPAC Name: 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

SMILES: C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5

InChIKey: MEXUTNIFSHFQRG-UHFFFAOYSA-N

InChI: InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)

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五水头孢他啶

规格或纯度 :

≥98%

CAS号 : 78439-06-2 Compound CID : 5362051

分子式: C₂₂H₃₂N₆O₁₂S₂ 分子量: 636.65

IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;pentahydrate

SMILES: CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O

InChIKey: NMVPEQXCMGEDNH-NLYPMKEPSA-N

InChI: InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/b26-13+;;;;;/t14-,18-;;;;;/m1...../s1

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头孢吡胺

规格或纯度 :

Moligand™

≥98%

CAS号 : 70797-11-4 Compound CID : 636405

分子式: C₂₅H₂₄N₈O₇S₂ 分子量: 612.64

IUPAC Name: (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES: CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O

InChIKey: PWAUCHMQEXVFJR-PMAPCBKXSA-N

InChI: InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1

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纳夫西林-d₅钠盐

规格或纯度 :

≥98%

CAS号 : 1356354-25-0 Compound CID : 71750890

分子式: C₂₁H₁₆D₅N₂O₅S・Na 分子量: 441.49

IUPAC Name: sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(1,1,2,2,2-pentadeuterioethoxy)naphthalene-1-carbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

InChIKey: AYAPZOUDXCDGIF-LYVUTDJTSA-M

InChI: InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1/i1D3,4D2;

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头孢布烯二水合物

规格或纯度 :

≥98%

CAS号 : 118081-34-8 Compound CID : 5282241

分子式: C₁₅H₁₈N₄O₈S₂ 分子量: 446.46

IUPAC Name: (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate

SMILES: C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O.O.O

InChIKey: SSWTVBYDDFPFAF-DKOGRLLHSA-N

InChI: InChI=1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);2*1H2/b6-1-;;/t10-,13-;;/m1../s1

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