激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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Silmitasertib (CX-4945)
- 10mM in DMSO
CAS号 : 1009820-21-6(DMSO)

分子式: C₁₉H₁₂ClN₃O₂ 分子量: 349.77

SMILES: OC(=O)C1=CC2=C(C=C1)C3=CN=CC=C3C(=N2)NC4=CC(=CC=C4)Cl
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AZ 191
- 10mM in DMSO
CAS号 : 1594092-37-1 Compound CID : 72716071

分子式: C₂₄H₂₇N₇O 分子量: 429.52

IUPAC Name: N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=CC(=N3)C4=CN(C5=C4C=CN=C5)C)OC

InChIKey: ZYVXTMKTGDARKR-UHFFFAOYSA-N

InChI: InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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A-674563
- 10mM in DMSO
CAS号 : 552325-73-2 Compound CID : 11314340

分子式: C₂₂H₂₂N₄O 分子量: 358.44

IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine

SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N

InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N

InChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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EHT 5372
- ≥95%
CAS号 : 1425945-63-6 Compound CID : 71529610

分子式: C₁₇H₁₁Cl₂N₅OS 分子量: 404.27

IUPAC Name: methyl 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

SMILES: COC(=N)C1=NC2=C(S1)C3=C(C=C2)N=CN=C3NC4=C(C=C(C=C4)Cl)Cl

InChIKey: QSGKPYRFWJINEH-UHFFFAOYSA-N

InChI: InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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EHT 1610
- ≥98%
CAS号 : 1425945-60-3 Compound CID : 71529602

分子式: C₁₈H₁₄FN₅O₂S 分子量: 383.40

IUPAC Name: methyl 9-(2-fluoro-4-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

SMILES: COC1=CC(=C(C=C1)NC2=NC=NC3=C2C4=C(C=C3)N=C(S4)C(=N)OC)F

InChIKey: RYBNARZBIXTFJS-UHFFFAOYSA-N

InChI: InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
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A-674563
- ≥98%
CAS号 : 552325-73-2 Compound CID : 11314340

分子式: C₂₂H₂₂N₄O 分子量: 358.44

IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine

SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N

InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N

InChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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PHA-767491,双重Cdc7和Cdk9激酶抑制剂
- ≥98%
CAS号 : 845714-00-3 Compound CID : 11715767

分子式: C₁₂H₁₁N₃O 分子量: 213.24

IUPAC Name: 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

SMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3

InChIKey: DKXHSOUZPMHNIZ-UHFFFAOYSA-N

InChI: InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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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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CX-4945 (Silmitasertib),CK2抑制剂
- ≥98%
CAS号 : 1009820-21-6 Compound CID : 24748573

分子式: C₁₉H₁₂ClN₃O₂ 分子量: 349.77

IUPAC Name: 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

SMILES: C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4

InChIKey: MUOKSQABCJCOPU-UHFFFAOYSA-N

InChI: InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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哈尔碱
- ≥98%
CAS号 : 442-51-3 Compound CID : 5280953

分子式: C₁₃H₁₂N₂O 分子量: 212.25

IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

SMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC

InChIKey: BXNJHAXVSOCGBA-UHFFFAOYSA-N

InChI: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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哈尔碱
- ≥98%
CAS号 : 442-51-3 Compound CID : 5280953

分子式: C₁₃H₁₂N₂O 分子量: 212.25

IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

SMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC

InChIKey: BXNJHAXVSOCGBA-UHFFFAOYSA-N

InChI: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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来他替尼
- ≥98%
CAS号 : 111358-88-4 Compound CID : 126565

分子式: C₂₆H₂₁N₃O₄ 分子量: 439.46

IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

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

InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N

InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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