激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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IMD 0354,IKKβ抑制剂
- ≥99%
CAS号 : 978-62-1 Compound CID : 5081913

分子式: C₁₅H₈ClF₆NO₂ 分子量: 383.67

IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

SMILES: C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

InChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-N

InChI: InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
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Ro 0437626,P2X1拮抗剂
- ≥98%(HPLC)
CAS号 : 134362-79-1 Compound CID : 11663667

分子式: C₂₇H₃₅N₅O₄S 分子量: 525.66

IUPAC Name: N-[(2R)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1H-benzimidazole-2-carboxamide

SMILES: C1CCC(CC1)CC(C(C(C2CC2)O)O)NC(=O)C(CC3=CSC=N3)NC(=O)C4=NC5=CC=CC=C5N4

InChIKey: JHRSGCIIDRWHCD-UARRHKHWSA-N

InChI: InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1
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NF 449,P2X1拮抗剂
CAS号 : 627034-85-9 Compound CID : 6093161

分子式: C₄₁H₂₄N₆Na₈O₂₉S₈ 分子量: 1505.06

IUPAC Name: octasodium;4-[[3-[[3,5-bis[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfonatophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonate

SMILES: C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC5=C(C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChIKey: KCBZSNWCUJBMHF-UHFFFAOYSA-F

InChI: InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8

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IMD 0354
- 10mM in DMSO
CAS号 : 978-62-1(DMSO)

分子式: C₁₅H₈ClF₆NO₂ 分子量: 383.67

SMILES: OC1=C(C=C(Cl)C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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5'-三磷酸腺苷
- 10mM in Water
CAS号 : 56-65-5(Water) Compound CID : 5957

分子式: C₁₀H₁₆N₅O₁₃P₃ 分子量: 507.18

IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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N-[3,5-bis(trifluoromethyl)phenyl]benzamide
CAS号 : 192049-16-4 Compound CID : 709322

分子式: C₁₅H₉F₆NO 分子量: 333.23

IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]benzamide

SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChIKey: GDFPOIHRMVYESO-UHFFFAOYSA-N

InChI: InChI=1S/C15H9F6NO/c16-14(17,18)10-6-11(15(19,20)21)8-12(7-10)22-13(23)9-4-2-1-3-5-9/h1-8H,(H,22,23)

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Salfluverine
CAS号 : 587-49-5 Compound CID : 68519

分子式: C₁₄H₁₀F₃NO₂ 分子量: 281.23

IUPAC Name: 2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O

InChIKey: WQDAVGDBWHWDSC-UHFFFAOYSA-N

InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)

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磷酸吡哆醛
- ≥98%
CAS号 : 54-47-7 Compound CID : 1051

分子式: C₈H₁₀NO₆P 分子量: 247.14

IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N

InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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磷酸吡哆醛
- ≥98%
CAS号 : 54-47-7 Compound CID : 1051

分子式: C₈H₁₀NO₆P 分子量: 247.14

IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N

InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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磷酸吡哆醛水合物
- ≥98%
CAS号 : 853645-22-4 Compound CID : 1051

分子式: C₈H₁₀NO₆P · xH₂O 分子量: 247.14

IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N

InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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钙离子载体 A23187
- ≥97%
CAS号 : 52665-69-7 Compound CID : 11957499

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: 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-,17-,18-,22-,27+,29+/m1/s1
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腺苷 5′-二磷酸 (ADP)
- ≥95%(HPLC)
CAS号 : 58-64-0 Compound CID : 6022

分子式: C₁₀H₁₅N₅O₁₀P₂ 分子量: 427.2

IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

SMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O

InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N

InChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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