按“信号通路”分类 - 小分子和化合物库

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二苯基硼酸-2-氨基乙酯
- ≥98%
CAS号: 524-95-8 EC号: 208-366-5

分子式: C₁₄H₁₆BNO 分子量: 225.09

IUPAC Name: 2-diphenylboranyloxyethanamine

SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN

InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N

InChI: 1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
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花生四烯酸(AA)
- ≥99%(GC)
CAS号: 506-32-1 EC号: 208-033-4

分子式: C₂₀H₃₂O₂ 分子量: 304.47

IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O

InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N

InChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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克立咪唑
- ≥98%
CAS号: 442-52-4 EC号: 207-133-5

分子式: C₁₉H₂₀ClN₃ 分子量: 325.84

IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

SMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N

InChI: 1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
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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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S-[4-[(4-硝基苄基)氧代]苯乙基]异硫脲甲磺酸盐
- ≥98%(HPLC)
CAS号: 182004-65-5 Compound CID : 9823846

分子式: C₁₆H₁₇N₃O₃S·CH₄O₃S 分子量: 427.49

IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate

SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChIKey: WGIKEBHIKKWJLG-UHFFFAOYSA-N

InChI: 1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
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贯叶金丝桃素
- ≥98%
CAS号: 11079-53-1

分子式: C₃₅H₅₂O₄ 分子量: 536.78

IUPAC Name: (1R,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

SMILES: CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

InChIKey: KGSZHKRKHXOAMG-HQKKAZOISA-N

InChI: 1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
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N-(4-戊基肉桂酰胺)邻氨基苯甲酸(ACA)
- ≥96%
CAS号: 110683-10-8

分子式: C₂₁H₂₃NO₃ 分子量: 337.4

IUPAC Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid

SMILES: CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O

InChIKey: GAMRBCZMOOMBSQ-CCEZHUSRSA-N

InChI: 1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
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PF CBP1,CBP / p300溴结构域抑制剂
- ≥98%(HPLC)
CAS号: 1962928-21-7 Compound CID : 119081417

分子式: C₂₉H₃₆N₄O₃ 分子量: 488.62

IUPAC Name: 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine

SMILES: CCCOC1=CC=C(C=C1)CCC2=NC3=C(N2CCN4CCOCC4)C=CC(=C3)C5=C(ON=C5C)C

InChIKey: CGWBJJZOKGZCSJ-UHFFFAOYSA-N

InChI: 1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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ISOX DUAL,双重BRD4和CBP / p300溴结构域抑制剂
- ≥98%(HPLC)
CAS号: 1962928-22-8

分子式: C₃₁H₄₁N₅O₃ 分子量: 531.69

IUPAC Name: 3-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]-N,N-dimethylpropan-1-amine

SMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OCCCN(C)C)CCN5CCOCC5

InChIKey: HCDQWCDANVEBQR-UHFFFAOYSA-N

InChI: 1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3
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I-CBP 112,CBP / p300 BRD抑制剂
- ≥98%(HPLC)
CAS号: 1640282-31-0

分子式: C₂₇H₃₆N₂O₅ 分子量: 468.59

IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

SMILES: CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCN(C3)C)C4=CC(=C(C=C4)OC)OC

InChIKey: YKNAKDFZAWQEEO-IBGZPJMESA-N

InChI: 1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
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GSK 1702934A,TRPC3 / 6激活剂
- ≥98%(HPLC)
CAS号: 924377-85-5

分子式: C₂₂H₂₅N₃O₂S 分子量: 395.52

IUPAC Name: 3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

SMILES: C1CCC2=C(CC1)SC(=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChIKey: AXWRAIIIBRLXBP-UHFFFAOYSA-N

InChI: 1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27)
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SGC-CBP30
- ≥98%
CAS号: 1613695-14-9 Compound CID : 72201027

分子式: C₂₈H₃₃ClN₄O₃ 分子量: 509.04

IUPAC Name: 4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine

SMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC(=C(C=C4)OC)Cl)CC(C)N5CCOCC5

InChIKey: GEPYBHCJBORHCE-SFHVURJKSA-N

InChI: 1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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