化学生物学

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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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2-氨基-6-(硫代三氟甲氧基)苯并噻唑
- ≥95%
CAS号 : 326-45-4 Compound CID : 2735964

分子式: C₈H₅F₃N₂S₂ 分子量: 250.27

IUPAC Name: 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine

SMILES: C1=CC2=C(C=C1SC(F)(F)F)SC(=N2)N

InChIKey: PBRVVEXJMLEKMJ-UHFFFAOYSA-N

InChI: InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
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MMV-390048,PI4K抑制剂
- ≥97%
CAS号 : 1314883-11-8 Compound CID : 53311393

分子式: C₁₈H₁₄F₃N₃O₂S 分子量: 393.383

IUPAC Name: 5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)F

InChIKey: RTJQABCNNLMCJF-UHFFFAOYSA-N

InChI: InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
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氟西汀
- ≥99%
CAS号 : 54910-89-3

分子式: C₁₇H₁₈F₃NO 分子量: 309.33

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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Tolterodine-L-酒石酸盐
- ≥98%(HPLC)
CAS号 : 124937-51-5 Compound CID : 443879

分子式: C₂₂H₃₁NO 分子量: 325.5

IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

SMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2

InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-N

InChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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Traxoprodil (CP101,606),NMDA 拮抗剂
- ≥98%(HPLC)
CAS号 : 134234-12-1 Compound CID : 219101

分子式: C₂₀H₂₅NO₃ 分子量: 327.42

IUPAC Name: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol

SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O

InChIKey: QEMSVZNTSXPFJA-HNAYVOBHSA-N

InChI: InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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CORT-108297
- ≥97%
CAS号 : 1018679-79-2 Compound CID : 44454750

分子式: C₂₆H₂₅F₄N₃O₃S 分子量: 535.55

IUPAC Name: (4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline

SMILES: CCOC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N(N=C3)C5=CC=C(C=C5)F

InChIKey: SLKURXRZHJOZOD-RUZDIDTESA-N

InChI: InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1
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依拉嗪,Eleclazine
- ≥97%
CAS号 : 1443211-72-0 Compound CID : 71183216

分子式: C₂₁H₁₆F₃N₃O₃ 分子量: 415.372

IUPAC Name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one

SMILES: C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4

InChIKey: YNUAEEJQYHYLMS-UHFFFAOYSA-N

InChI: InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2
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1-(3,4-二氯苯基)-3-氮杂双环[3.1.0]己烷
- ≥97%
CAS号 : 66504-40-3 Compound CID : 9795276

分子式: C₁₁H₁₁Cl₂N 分子量: 228.12

IUPAC Name: 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane

SMILES: C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)Cl

InChIKey: BSMNRYCSBFHEMQ-UHFFFAOYSA-N

InChI: InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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食欲肽B (老鼠) ≥97%, ≥97% (HPLC)
- ≥97%(HPLC)
CAS号 : 202801-92-1 Compound CID : 90479795

分子式: C₁₂₆H₂₁₅N₄₅O₃₄S

IUPAC Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylpentanoyl]amino]pentanediamide

SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(CC1=CNC=N1)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)N

InChIKey: RLVZFBVFVIDDPQ-GWQFQBPDSA-N

InChI: InChI=1S/C126H215N45O34S/c1-18-65(12)99(120(202)166-82(49-64(10)11)117(199)168-100(69(16)172)121(203)156-72(101(133)183)37-44-206-17)167-97(181)57-144-102(184)66(13)150-103(185)67(14)152-111(193)83(50-70-53-140-59-149-70)165-116(198)85(52-93(132)177)155-95(179)55-146-106(188)84(51-92(131)176)161-104(186)68(15)151-107(189)76(32-35-90(129)174)159-114(196)80(47-62(6)7)164-115(197)81(48-63(8)9)163-109(191)74(27-21-40-143-126(138)139)157-110(192)77(33-36-91(130)175)160-113(195)79(46-61(4)5)162-108(190)73(26-20-39-142-125(136)137)153-94(178)54-145-105(187)75(31-34-89(128)173)158-112(194)78(45-60(2)3)154-96(180)56-147-118(200)87-29-23-43-171(87)123(205)88-30-24-41-169(88)98(182)58-148-119(201)86-28-22-42-170(86)122(204)71(127)25-19-38-141-124(134)135/h53,59-69,71-88,99-100,172H,18-52,54-58,127H2,1-17H3,(H2,128,173)(H2,129,174)(H2,130,175)(H2,131,176)(H2,132,177)(H2,133,183)(H,140,149)(H,144,184)(H,145,187)(H,146,188)(H,147,200)(H,148,201)(H,150,185)(H,151,189)(H,152,193)(H,153,178)(H,154,180)(H,155,179)(H,156,203)(H,157,192)(H,158,194)(H,159,196)(H,160,195)(H,161,186)(H,162,190)(H,163,191)(H,164,197)(H,165,198)(H,166,202)(H,167,181)(H,168,199)(H4,134,135,141)(H4,136,137,142)(H4,138,139,143)/t65-,66-,67-,68-,69+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,99-,100-/m0/s1
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缬苯那嗪
- ≥97%
CAS号 : 1025504-45-3 Compound CID : 24795069

分子式: C₂₄H₃₈N₂O₄ 分子量: 418.57

IUPAC Name: [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate

SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C(C(C)C)N)OC)OC

InChIKey: GEJDGVNQKABXKG-CFKGEZKQSA-N

InChI: InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1
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