按“信号通路”分类 - 小分子和化合物库

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碘化丙锭（PI）
- ≥94%
CAS号: 25535-16-4 EC号: 247-081-0 Compound CID : 104981

分子式: C₂₇H₃₄I₂N₄ 分子量: 668.39

IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide

SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]

InChIKey: XJMOSONTPMZWPB-UHFFFAOYSA-M

InChI: 1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1
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4,4'-二苯胺基-1,1'-联萘-5,5'-二磺酸二钾盐
- ≥94%
CAS号: 65664-81-5

分子式: C₃₂H₂₂K₂N₂O₆S₂ 分子量: 672.85

IUPAC Name: dipotassium;8-anilino-5-(4-anilino-5-sulfonatonaphthalen-1-yl)naphthalene-1-sulfonate

SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[K+].[K+]

InChIKey: VWLWTJHKQHRTNC-UHFFFAOYSA-L

InChI: 1S/C32H24N2O6S2.2K/c35-41(36,37)29-15-7-13-25-23(17-19-27(31(25)29)33-21-9-3-1-4-10-21)24-18-20-28(34-22-11-5-2-6-12-22)32-26(24)14-8-16-30(32)42(38,39)40;;/h1-20,33-34H,(H,35,36,37)(H,38,39,40);;/q;2See more
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Triacsin C,来自链霉菌属
- ≥94%
CAS号: 76896-80-5 Compound CID : 9576787

分子式: C₁₁H₁₇N₃O 分子量: 207.27

IUPAC Name: N-[(E)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amide

SMILES: CCCC=CCC=CC=CC=NNN=O

InChIKey: NKTGCVUIESDXPU-YLEPRARLSA-N

InChI: 1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
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6-叔-丁基-2,3-萘二甲腈
- ≥94%
CAS号: 32703-82-5

分子式: C₁₆H₁₄N₂ 分子量: 234.3

IUPAC Name: 6-tert-butylnaphthalene-2,3-dicarbonitrile

SMILES: CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#N

InChIKey: MKILROQBJOOZKC-UHFFFAOYSA-N

InChI: 1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
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(-)-假木贼碱
- ≥94%
CAS号: 494-52-0

分子式: C₁₀H₁₄N₂ 分子量: 162.23

IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine

SMILES: C1CCNC(C1)C2=CN=CC=C2

InChIKey: MTXSIJUGVMTTMU-JTQLQIEISA-N

InChI: 1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
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富马酸亚铁
- ≥94%
CAS号: 141-01-5 Compound CID : 6433164

分子式: C₄H₂FeO₄ 分子量: 169.9

IUPAC Name: (E)-but-2-enedioate;iron(2+)

SMILES: C(=CC(=O)[O-])C(=O)[O-].[Fe+2]

InChIKey: PMVSDNDAUGGCCE-TYYBGVCCSA-L

InChI: 1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;
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NF023,竞争性P2X 1受体拮抗剂
- ≥94%
CAS号: 104869-31-0

分子式: C₃₅H₂₀N₄Na₆O₂₁S₆·12·5H₂O 分子量: 1388.02

SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na].[Na].[Na].[Na].[Na].[Na]

InChIKey: GKOOKWDOKJAVBD-UHFFFAOYSA-N

InChI: 1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)4See more
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ZIP三氟乙酸盐
- ≥94%
CAS号: 863987-12-6(free)
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NYC-488,新型钙蛋白酶抑制剂
- ≥94%
CAS号: 1448429-06-8 Compound CID : 71660816

分子式: C₁₉H₁₇FN₆O₅S 分子量: 460.4

IUPAC Name: (2S,3S)-3-[[(2S)-1-[[1-(4-fluorophenyl)triazol-4-yl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

SMILES: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)C(CC3=CSC=N3)NC(=O)C4C(O4)C(=O)O)F

InChIKey: IPWMYOJQVHCYRC-JYJNAYRXSA-N

InChI: 1S/C19H17FN6O5S/c20-10-1-3-13(4-2-10)26-7-12(24-25-26)6-21-17(27)14(5-11-8-32-9-22-11)23-18(28)15-16(31-15)19(29)30/h1-4,7-9,14-16H,5-6H2,(H,21,27)(H,23,28)(H,29,30)/t14-,15-,16-/m0/s1
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(1R,1'S,3'R/1R,1'R,3'S)-L-054,264
- ≥94%
CAS号: 208706-12-1 Compound CID : 9915239

分子式: C₃₃H₄₁N₅O₂ 分子量: 539.71

IUPAC Name: N-[(2R)-1-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide

SMILES: C1CC(CC(C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)CN

InChIKey: DAMXHAMKVXERLM-FVBCXUTKSA-N

InChI: 1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)See more
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四乙烯五胺五盐酸盐
- ≥94%
CAS号: 4961-41-5 Compound CID : 10309252

分子式: C₈H₂₈Cl₅N₅ 分子量: 371.61

IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride

SMILES: C(CNCCNCCNCCN)N.Cl.Cl.Cl.Cl.Cl

InChIKey: VGICAQBLDJAGSJ-UHFFFAOYSA-N

InChI: 1S/C8H23N5.5ClH/c9-1-3-11-5-7-13-8-6-12-4-2-10;;;;;/h11-13H,1-10H2;5*1H
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微囊藻毒素LR，去甲基（“ Asp3-MCLR”）
- ≥94%
CAS号: 120011-66-7 Compound CID : 6440025

分子式: C₄₈H₇₂N₁₀O₁₂ 分子量: 981.14

IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,2See more

SMILES: CC1C(NC(=O)C(NC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C

InChIKey: VYEBKSHVYPDMQQ-MREVJOSWSA-N

InChI: 1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43See more
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