免疫配体 - 小分子和化合物库

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R406（游离碱）
- ≥99%
CAS号 : 841290-80-0 Compound CID : 11213558

分子式: C₂₂H₂₃FN₆O₅ 分子量: 470.45

IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

InChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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鲁索替尼
- ≥98%
CAS号 : 941685-37-6 Compound CID : 50878566

分子式: C₁₇H₁₈N₆ 分子量: 306.37

IUPAC Name: (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

SMILES: C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChIKey: HFNKQEVNSGCOJV-HNNXBMFYSA-N

InChI: InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1
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托法替尼
- ≥98%(HPLC)
CAS号 : 477600-75-2 Compound CID : 9926791

分子式: C₁₆H₂₀N₆O 分子量: 312.37

IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N

InChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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TPCA-1,IκB激酶抑制剂
- ≥98%
CAS号 : 507475-17-4 Compound CID : 9903786

分子式: C₁₂H₁₀FN₃O₂S 分子量: 279.29

IUPAC Name: 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide

SMILES: C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F

InChIKey: SAYGKHKXGCPTLX-UHFFFAOYSA-N

InChI: InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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巴瑞克替尼
- ≥99%
CAS号 : 1187594-09-7 Compound CID : 44205240

分子式: C₁₆H₁₇N₇O₂S 分子量: 371.42

IUPAC Name: 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

SMILES: CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChIKey: XUZMWHLSFXCVMG-UHFFFAOYSA-N

InChI: InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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达马莫德
- ≥99%
CAS号 : 285983-48-4 Compound CID : 156422

分子式: C₃₁H₃₇N₅O₃ 分子量: 527.67

IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

InChI: InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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伊马替尼
- ≥99%
CAS号 : 152459-95-5 Compound CID : 5291

分子式: C₂₉H₃₁N₇O 分子量: 493.6

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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LY2784544,JAK2抑制剂
- ≥98%
CAS号 : 1229236-86-5 Compound CID : 46213929

分子式: C₂₃H₂₅ClFN₇O 分子量: 469.95

IUPAC Name: 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

SMILES: CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F

InChIKey: SQSZANZGUXWJEA-UHFFFAOYSA-N

InChI: InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
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乌帕替尼
- ≥99%
CAS号 : 1310726-60-3 Compound CID : 58557659

分子式: C₁₇H₁₉F₃N₆O 分子量: 380.37

IUPAC Name: (3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

SMILES: CCC1CN(CC1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F

InChIKey: WYQFJHHDOKWSHR-MNOVXSKESA-N

InChI: InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
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AH 6809,EP1和EP2拮抗剂
- ≥97%
CAS号 : 33458-93-4 Compound CID : 119461

分子式: C₁₇H₁₄O₅ 分子量: 298.29

IUPAC Name: 9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid

SMILES: CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChIKey: AQFFXPQJLZFABJ-UHFFFAOYSA-N

InChI: InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
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伊洛前列素
- ≥97%
CAS号 : 78919-13-8 Compound CID : 5311181

分子式: C₂₂H₃₂O₄ 分子量: 360.49

IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

SMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O

InChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-N

InChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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9,11-二脱氧基-11α,9α-亚甲基环氧前列腺素 F2α
- ≥98%
- 10 mg/mL in methyl acetate
CAS号 : 56985-40-1 Compound CID : 5311493

分子式: C₂₁H₃₄O₄ 分子量: 350.49

IUPAC Name: (Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O

InChIKey: LQANGKSBLPMBTJ-BRSNVKEHSA-N

InChI: InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
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