页面 4 | 按“信号通路”分类 - 小分子和化合物库

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CKI-7 盐酸盐
- ≥98%(HPLC)
CAS号 : 1177141-67-1 Compound CID : 16078955

分子式: C₁₁H₁₂ClN₃O₂S · 2HCl 分子量: 358.67

IUPAC Name: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride

SMILES: C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl.Cl.Cl

InChIKey: JUAVTXYOCISSSL-UHFFFAOYSA-N

InChI: InChI=1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H
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N-(6-氨基己基)-5-氯-1-萘磺酰胺盐酸盐
- ≥98%(HPLC)
CAS号 : 61714-27-0 Compound CID : 124887

分子式: C₁₆H₂₁ClN₂O₂S·HCl 分子量: 377.33

IUPAC Name: N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride

SMILES: C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN.Cl

InChIKey: OMMOSRLIFSCDBL-UHFFFAOYSA-N

InChI: InChI=1S/C16H21ClN2O2S.ClH/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18;/h5-10,19H,1-4,11-12,18H2;1H
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N-环己基-N-[2-(3,5-二甲基吡唑-1-基)-6-甲基嘧啶-4-基]胺(CyPPA)
- ≥98%(HPLC)
CAS号 : 73029-73-9 Compound CID : 909822

分子式: C₁₆H₂₃N₅ 分子量: 285.39

IUPAC Name: N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine

SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC3CCCCC3

InChIKey: USEMRPYUFJNFQN-UHFFFAOYSA-N

InChI: InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)
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盐酸去甲替林
- ≥98%(HPLC)
CAS号 : 894-71-3 Compound CID : 441358

分子式: C₁₉H₂₁N · HCl 分子量: 299.84

IUPAC Name: N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride

SMILES: CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl

InChIKey: SHAYBENGXDALFF-UHFFFAOYSA-N

InChI: InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
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NCS-382,钠盐
- ≥98%(HPLC)
CAS号 : 131733-92-1 Compound CID : 3613485

分子式: C₁₃H₁₃NaO₃ 分子量: 240.23

IUPAC Name: sodium;2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate

SMILES: C1CC2=CC=CC=C2C(C(=CC(=O)[O-])C1)O.[Na+]

InChIKey: BTWDZCORIHHOPO-UHFFFAOYSA-M

InChI: InChI=1S/C13H14O3.Na/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);/q;+1/p-1
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橄榄苦苷
- ≥98%(HPLC)
CAS号 : 32619-42-4 Compound CID : 5281544

分子式: C₂₅H₃₂O₁₃ 分子量: 540.51

IUPAC Name: methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O

InChIKey: RFWGABANNQMHMZ-ZCHJGGQASA-N

InChI: InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
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昂丹司琼盐酸盐二水合物
- ≥98%(HPLC)
CAS号 : 103639-04-9 Compound CID : 59774

分子式: C₁₈H₁₉N₃O·HCl·2H₂O 分子量: 365.85

IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride

SMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.Cl

InChIKey: VRSLTNZJOUZKLX-UHFFFAOYSA-N

InChI: InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
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奥扎格雷盐酸盐水合物
- ≥98%(HPLC)
CAS号 : 78712-43-3 Compound CID : 6438130

分子式: C₁₃H₁₂N₂O₂·HCl·xH₂O 分子量: 264.71(as Anhydrous)

IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride

SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.Cl

InChIKey: CWKFWBJJNNPGAM-IPZCTEOASA-N

InChI: InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;
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吖啶酮乙酸
- ≥98%(HPLC)
CAS号 : 38609-97-1 Compound CID : 38072

分子式: C₁₅H₁₁NO₃ 分子量: 253.25

IUPAC Name: 2-(9-oxoacridin-10-yl)acetic acid

SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O

InChIKey: UOMKBIIXHQIERR-UHFFFAOYSA-N

InChI: InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
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奥替尼啶二盐酸盐
- ≥98%(HPLC)
CAS号 : 70775-75-6 Compound CID : 51166

分子式: C₃₆H₆₂N₄·2HCl 分子量: 623.84

IUPAC Name: N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine;dihydrochloride

SMILES: CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.Cl.Cl

InChIKey: SMGTYJPMKXNQFY-UHFFFAOYSA-N

InChI: InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H
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CD437,RARγ激动剂
- ≥98%(HPLC)
CAS号 : 125316-60-1 Compound CID : 135411

分子式: C₂₇H₂₆O₃ 分子量: 398.49

IUPAC Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid

SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O

InChIKey: LDGIHZJOIQSHPB-UHFFFAOYSA-N

InChI: InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
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芍药苷
- ≥98%(HPLC)
CAS号 : 23180-57-6 Compound CID : 442534

分子式: C₂₃H₂₈O₁₁ 分子量: 480.46

IUPAC Name: [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

SMILES: C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]5(COC(=O)c4ccccc4)[C@H]3C[C@]25O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

InChI: InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
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