整合素家族 - 催化受体 - 药物靶标

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替罗非班

规格或纯度 :

Moligand™

≥98%

CAS号 : 144494-65-5 Compound CID : 60947

分子式: C₂₂H₃₆N₂O₅S 分子量: 440.6

IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

SMILES: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChIKey: COKMIXFXJJXBQG-NRFANRHFSA-N

InChI: InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1

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Zaurategrast,抑制剂

规格或纯度 :

Moligand™

≥99%

CAS号 : 455264-31-0 Compound CID : 10186367

分子式: C₂₆H₂₅BrN₄O₃ 分子量: 521.42

IUPAC Name: (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acid

SMILES: C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)O

InChIKey: KYHVWHYLKOHLKA-FQEVSTJZSA-N

InChI: InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1

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西仑吉肽

规格或纯度 :

Moligand™

≥98%

CAS号 : 188968-51-6 Compound CID : 176873

分子式: C₂₇H₄₀N₈O₇ 分子量: 588.66

IUPAC Name: 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid

SMILES: CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N

InChIKey: AMLYAMJWYAIXIA-VWNVYAMZSA-N

InChI: InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1

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Firategrast,拮抗剂

规格或纯度 :

Moligand™

CAS号 : 402567-16-2 Compound CID : 9935681

分子式: C₂₇H₂₇F₂NO₆ 分子量: 499.5

IUPAC Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid

SMILES: CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC

InChIKey: YLFZHHDVRSYTKT-NRFANRHFSA-N

InChI: InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1

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立他司特

规格或纯度 :

Moligand™

≥97%

CAS号 : 1025967-78-5 Compound CID : 11965427

分子式: C₂₉H₂₄Cl₂N₂O₇S 分子量: 615.48

IUPAC Name: (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

SMILES: CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl

InChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-N

InChI: InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1

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TCS 2314,α4β1（VLA-4）拮抗剂

规格或纯度 :

Moligand™

≥98%

CAS号 : 317353-73-4 Compound CID : 11226207

分子式: C₂₈H₃₄N₄O₆ 分子量: 522.59

IUPAC Name: 2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid

SMILES: CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOCC3C(=O)N4CCC(CC4)CC(=O)O

InChIKey: ITXAAOWFOURIHK-DEOSSOPVSA-N

InChI: InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1

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BTT 3033,整合素α2β1的抑制剂

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 1259028-99-3 Compound CID : 49841251

分子式: C₂₃H₂₀FN₅O₃S 分子量: 465.5

IUPAC Name: 1-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonyl-methylamino]phenyl]-3-phenylurea

SMILES: CN(C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CN(N=C3)C4=CC=C(C=C4)F

InChIKey: NSLIQOPYDUKWTA-UHFFFAOYSA-N

InChI: InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)

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BIRT 377,LFA-1的强负变构调节剂

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 213211-10-0 Compound CID : 9803375

分子式: C₁₈H₁₅BrCl₂N₂O₂ 分子量: 442.13

IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione

SMILES: CC1(C(=O)N(C(=O)N1C)C2=CC(=CC(=C2)Cl)Cl)CC3=CC=C(C=C3)Br

InChIKey: FJNJHZQMQRVZEE-GOSISDBHSA-N

InChI: InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1

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BIO 1211,α4β1（VLA-4）抑制剂

规格或纯度 :

Moligand™

≥98%

CAS号 : 187735-94-0 Compound CID : 9961766

分子式: C₃₆H₄₈N₆O₉ 分子量: 708.8

IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

SMILES: CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O

InChIKey: NVVGCQABIHSJSQ-KFZSMJGVSA-N

InChI: InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1

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A 286982,LFA-1 / ICAM-1相互作用的有效抑制剂

规格或纯度 :

Moligand™

≥98%

CAS号 : 280749-17-9 Compound CID : 9846729

分子式: C₂₄H₂₇N₃O₄S 分子量: 453.55

IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one

SMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-N

InChI: InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+

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