激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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Y-33075,ROCK 抑制剂
- ≥98%
CAS号 : 199433-58-4 Compound CID : 9810884

分子式: C₁₆H₁₆N₄O 分子量: 280.33

IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N

InChIKey: JTVBXQAYBIJXRP-SNVBAGLBSA-N

InChI: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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H-1152,ROCK 抑制剂
- ≥98%
CAS号 : 451462-58-1 Compound CID : 448043

分子式: C₁₆H₂₁N₃O₂S 分子量: 319.42

IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

SMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C

InChIKey: AWDORCFLUJZUQS-ZDUSSCGKSA-N

InChI: InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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Lapaquistat Acetate
CAS号 : 189060-13-7 Compound CID : 9874248

分子式: C₃₃H₄₁ClN₂O₉ 分子量: 645.14

IUPAC Name: 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid

SMILES: CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC

InChIKey: CMLUGNQVANVZHY-POURPWNDSA-N

InChI: InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1

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AT13148
- ≥98%
CAS号 : 1056901-62-2 Compound CID : 24905401

分子式: C₁₇H₁₆ClN₃O 分子量: 313.78

IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol

SMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O

InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N

InChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
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盐酸奈他地尔(AR-13324)
- ≥98%
CAS号 : 1253952-02-1 Compound CID : 66599892

分子式: C₂₈H₂₇N₃O₃.2HCl 分子量: 526.45

IUPAC Name: [4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;dihydrochloride

SMILES: CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.Cl.Cl

InChIKey: LDKTYVXXYUJVJM-FBHGDYMESA-N

InChI: InChI=1S/C28H27N3O3.2ClH/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/t26-;;/m1../s1
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AT13148
- 10mM in DMSO
CAS号 : 1056901-62-2 Compound CID : 24905401

分子式: C₁₇H₁₆ClN₃O 分子量: 313.78

IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol

SMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O

InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N

InChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
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[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid
CAS号 : 70010-82-1 Compound CID : 405389

分子式: C₆H₉ClN₂O₆P₂ 分子量: 302.54

IUPAC Name: [[(5-chloropyridin-2-yl)amino]-phosphonomethyl]phosphonic acid

SMILES: C1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)O

InChIKey: BNMYZGAZFGNKTH-UHFFFAOYSA-N

InChI: InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)

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Benzamide, 4-((1R)-1-aminoethyl)-N-1H-pyrrolo(2,3-b)pyridin-4-yl-, hydrochloride (1:1)
CAS号 : 471843-75-1 Compound CID : 11507964

分子式: C₁₆H₁₇ClN₄O 分子量: 316.78

IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;hydrochloride

SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl

InChIKey: IILQESWQPZIAGP-HNCPQSOCSA-N

InChI: InChI=1S/C16H16N4O.ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;/h2-10H,17H2,1H3,(H2,18,19,20,21);1H/t10-;/m1./s1

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NB-598
CAS号 : 131060-14-5 Compound CID : 6443223

分子式: C₂₇H₃₁NOS₂ 分子量: 449.67

IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine

SMILES: CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3

InChIKey: KIRGLCXNEVICOG-SOFGYWHQSA-N

InChI: InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
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RKI-1447,ROCK1和ROCK2抑制剂
- ≥98%
CAS号 : 1342278-01-6 Compound CID : 60138149

分子式: C₁₆H₁₄N₄O₂S 分子量: 326.37

IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

SMILES: C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3

InChIKey: GDVRVPIXWXOKQO-UHFFFAOYSA-N

InChI: InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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星形孢菌素
- ≥98%
CAS号 : 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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KD025(SLx-2119),ROCK2抑制剂
- ≥98%
CAS号 : 911417-87-3 Compound CID : 11950170

分子式: C₂₆H₂₄N₆O₂ 分子量: 452.51

IUPAC Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide

SMILES: CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5

InChIKey: GKHIVNAUVKXIIY-UHFFFAOYSA-N

InChI: InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
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