按“信号通路”分类 - 小分子和化合物库

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吡啶-2，4-二羧酸（PCA）
- ≥99%
CAS号: 499-80-9 EC号: 207-892-2

分子式: C₇H₅NO₄ 分子量: 167.12

IUPAC Name: pyridine-2,4-dicarboxylic acid

SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O

InChIKey: MJIVRKPEXXHNJT-UHFFFAOYSA-N

InChI: 1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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普乐沙福
- ≥98%
CAS号: 110078-46-1

分子式: C₂₈H₅₄N₈ 分子量: 502.78

IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N

InChI: 1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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钙离子载体 A23187
- ≥97%
CAS号: 52665-69-7

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: 1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-See more
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FG-4592,HIF-α脯氨酰羟化酶抑制剂
- ≥98%
CAS号: 808118-40-3

分子式: C₁₉H₁₆N₂O₅ 分子量: 352.34

IUPAC Name: 2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid

SMILES: CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3

InChIKey: YOZBGTLTNGAVFU-UHFFFAOYSA-N

InChI: 1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
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INCB3344
- ≥98%
CAS号: 1262238-11-8

分子式: C₂₉H₃₄F₃N₃O₆ 分子量: 577.59

IUPAC Name: N-[2-[[(3S,4S)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

SMILES: CCOC1CN(CC1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

InChIKey: MZEOSVPWMSEFPW-XYCDVDSTSA-N

InChI: 1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(HSee more
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IOX2,脯氨酰羟化酶2（PHD2）抑制剂
- ≥98%
CAS号: 931398-72-0

分子式: C₁₉H₁₆N₂O₅ 分子量: 352.34

IUPAC Name: 2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid

SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O

InChIKey: CAOSCCRYLYQBES-UHFFFAOYSA-N

InChI: 1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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α-酮戊二酸
- ≥99%
CAS号: 328-50-7 EC号: 206-330-3

分子式: C₅H₆O₅ 分子量: 146.1

IUPAC Name: 2-oxopentanedioic acid

SMILES: C(CC(=O)O)C(=O)C(=O)O

InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

InChI: 1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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α-酮戊二酸
- ≥98%
CAS号: 328-50-7 EC号: 206-330-3

分子式: C₅H₆O₅ 分子量: 146.1

IUPAC Name: 2-oxopentanedioic acid

SMILES: C(CC(=O)O)C(=O)C(=O)O

InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

InChI: 1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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RS504393,CCR2趋化因子受体拮抗剂
- ≥98%(HPLC)
CAS号: 300816-15-3 Compound CID : 9953769

分子式: C₂₅H₂₇N₃O₃ 分子量: 417.5

IUPAC Name: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

SMILES: CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C

InChIKey: ODNICNWASXKNNQ-UHFFFAOYSA-N

InChI: 1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)
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西尼昔洛韦
- ≥97%
CAS号: 497223-25-3

分子式: C₄₁H₅₂N₄O₄S 分子量: 696.95

IUPAC Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide

SMILES: CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C

InChIKey: PNDKCRDVVKJPKG-WHERJAGFSA-N

InChI: 1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-2See more
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伐度司他
- ≥97%
CAS号: 1000025-07-9

分子式: C₁₄H₁₁ClN₂O₄ 分子量: 306.701

IUPAC Name: 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid

SMILES: C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O

InChIKey: JGRXMPYUTJLTKT-UHFFFAOYSA-N

InChI: 1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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RS 102895
- ≥98%
CAS号: 300815-41-2 Compound CID : 16759153

分子式: C₂₁H₂₁F₃N₂O₂ 分子量: 390.40

IUPAC Name: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride

SMILES: C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl

InChIKey: KRRISOFSWVKYBF-UHFFFAOYSA-N

InChI: 1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
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