激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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TC OT 39,非肽催产素受体部分激动剂
- ≥97%(HPLC)
CAS号 : 479232-57-0 Compound CID : 135413563

分子式: C₃₂H₄₀N₈O₂S 分子量: 600.78

IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide

SMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCCC5C(=S)N6CCCN(CC6)C

InChIKey: KSNHHKZYKYNBEI-NDEPHWFRSA-N

InChI: InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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（d（CH2）51，Tyr（Me）2，Arg8）-血管加压素
CAS号 : 73168-24-8 Compound CID : 9833460

分子式: C₅₂H₇₄N₁₄O₁₂S₂ 分子量: 1151.38

IUPAC Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-benzyl-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide

SMILES: COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5

InChIKey: QVQOGNOOAMQKCE-ZTYVOHGWSA-N

InChI: InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1

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Roxadustat (FG-4592)
- 10mM in DMSO
CAS号 : 808118-40-3(DMSO)

分子式: C₁₉H₁₆N₂O₅ 分子量: 352.34

SMILES: CC1=NC(=C(O)C2=C1C=C(OC3=CC=CC=C3)C=C2)C(=O)NCC(O)=O
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IOX2
- 10mM in DMSO
CAS号 : 931398-72-0(DMSO)

分子式: C₁₉H₁₆N₂O₅ 分子量: 352.34

SMILES: OC(=O)CNC(=O)C1=C(O)C2=C(C=CC=C2)N(CC3=CC=CC=C3)C1=O
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Tolvaptan
- 10mM in DMSO
CAS号 : 150683-30-0(DMSO)

分子式: C₂₆H₂₅ClN₂O₃ 分子量: 448.94

SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(O)C4=C3C=CC(=C4)Cl)C
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RO 5028442 (RG7713)
- ≥98%
CAS号 : 920022-47-5 Compound CID : 59657596

分子式: C₂₅H₂₈ClN₃O₂ 分子量: 437.96

IUPAC Name: [6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

SMILES: CN(C)CCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC4(CC3)C5=CC=CC=C5CO4

InChIKey: QZXVLRCMAHJVIP-UHFFFAOYSA-N

InChI: InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
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TP0463518
- ≥98%
CAS号 : 1558021-37-6 Compound CID : 73052863

分子式: C₂₀H₁₈ClN₃O₆ 分子量: 431.83

IUPAC Name: 2-[[1-[[6-(4-chlorophenoxy)pyridin-3-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

SMILES: C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)Cl

InChIKey: HMMHKGLPKAQOOH-UHFFFAOYSA-N

InChI: InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)
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IOX4
- ≥98%
CAS号 : 1154097-71-8 Compound CID : 24812792

分子式: C₁₅H₁₆N₆O₃ 分子量: 328.33

IUPAC Name: tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate

SMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3

InChIKey: HWQQDVNGHZIALS-UHFFFAOYSA-N

InChI: InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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FG-2216
- ≥96%
CAS号 : 223387-75-5 Compound CID : 6914666

分子式: C₁₂H₉ClN₂O₄ 分子量: 280.66

IUPAC Name: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid

SMILES: C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

InChIKey: OUQVKRKGTAUJQA-UHFFFAOYSA-N

InChI: InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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MK-8617
- ≥98%
CAS号 : 1187990-87-9 Compound CID : 44230662

分子式: C₂₄H₂₁N₅O₄ 分子量: 443.45

IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide

SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4

InChIKey: WXLPERVDMILVIF-UHFFFAOYSA-N

InChI: InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
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Atosiban
- 10mM in Water
CAS号 : 90779-69-4 Compound CID : 5311010

分子式: C₄₃H₆₇N₁₁O₁₂S₂ 分子量: 994.19

IUPAC Name: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O

InChIKey: VWXRQYYUEIYXCZ-OBIMUBPZSA-N

InChI: InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
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Enarodustat (JTZ-951)
- 10mM in DMSO
CAS号 : 1262132-81-9 Compound CID : 50899324

分子式: C₁₇H₁₆N₄O₄ 分子量: 340.33

IUPAC Name: 2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

SMILES: C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)O

InChIKey: FJYRBJKWDXVHHO-UHFFFAOYSA-N

InChI: InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
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