激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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PMX 205（TFA）,C5a受体肽拮抗剂
- ≥98%
CAS号 : 514814-49-4(free base)

分子式: C₄₇H₆₃F₃N₁₀O₈ 分子量: 953.06
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PMX 53,C5a受体拮抗剂
- ≥98%
CAS号 : 219639-75-5(free basis)

分子式: C₄₇H₆₅N₁₁O₇(free basis) 分子量: 896.1(free basis)
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Chk2抑制剂
- ≥95%
CAS号 : 724708-21-8 Compound CID : 135433657

分子式: C₁₅H₁₅N₅O₂ 分子量: 295.3

IUPAC Name: 5-(2-amino-4-hydroxy-1H-imidazol-5-yl)-3,4-dihydro-2H-azepino[3,4-b]indol-1-one

SMILES: C1CNC(=O)C2=NC3=CC=CC=C3C2=C1C4=C(N=C(N4)N)O

InChIKey: RZEPRPGFGRQXDI-UHFFFAOYSA-N

InChI: InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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AZD7762
- 10mM in DMSO
CAS号 : 860352-01-8(DMSO)

分子式: C₁₇H₁₉FN₄O₂S 分子量: 362.42

SMILES: NC(=O)NC1=C(SC(=C1)C2=CC(=CC=C2)F)C(=O)NC3CCCNC3
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PF-477736
- 10mM in DMSO
CAS号 : 952021-60-2(DMSO)

分子式: C₂₂H₂₅N₇O₂ 分子量: 419.48

SMILES: C[N]1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)C(N)C5CCCCC5)[NH]2
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TAE684 (NVP-TAE684)
- 2mM in DMSO
CAS号 : 761439-42-3(DMSO)

分子式: C₃₀H₄₀ClN₇O₃S 分子量: 614.2

SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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苏尼替尼
- 10mM in DMSO
CAS号 : 557795-19-4(DMSO)

分子式: C₂₂H₂₇FN₄O₂ 分子量: 398.47

SMILES: CCN(CC)CCNC(=O)C1=C(C)[NH]C(=C1C)/C=C/2C(=O)NC3=C2C=C(F)C=C3
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Avacopan (CCX168)
- 10mM in DMSO
CAS号 : 1346623-17-3 Compound CID : 49841217

分子式: C₃₃H₃₅F₄N₃O₂ 分子量: 581.64

IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

SMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F

InChIKey: PUKBOVABABRILL-YZNIXAGQSA-N

InChI: InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
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Alsterpaullone
- 10mM in DMSO
CAS号 : 237430-03-4 Compound CID : 5005498

分子式: C₁₆H₁₁N₃O₃ 分子量: 293.28

IUPAC Name: 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

SMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]

InChIKey: OLUKILHGKRVDCT-UHFFFAOYSA-N

InChI: InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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CCT245737
- 10mM in DMSO
CAS号 : 1489389-18-5 Compound CID : 72165232

分子式: C₁₆H₁₆F₃N₇O 分子量: 379.34

IUPAC Name: 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile

SMILES: C1COC(CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N

InChIKey: YBYYWUUUGCNAHQ-LLVKDONJSA-N

InChI: InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1
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Chk2抑制剂II
- 10mM in DMSO
CAS号 : 516480-79-8 Compound CID : 9969021

分子式: C₂₀H₁₄CIN₃O₂ 分子量: 363.8

IUPAC Name: 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide

SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)N)OC4=CC=C(C=C4)Cl

InChIKey: UXGJAOIJSROTTN-UHFFFAOYSA-N

InChI: InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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PMX 53
- 10mM in DMSO
CAS号 : 219639-75-5 Compound CID : 6918468

分子式: C₄₇H₆₅N₁₁O₇ 分子量: 896.1

IUPAC Name: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide

SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N

InChIKey: YOKBGCTZYPOSQM-HPSWDUTRSA-N

InChI: InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
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