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ATM/ATR

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  1. ETP-46464
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 1345675-02-6
    Formula:  C30H22N4O2        Molecular Weight: 470.52
    IUPAC Name:  2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
    SMILES:  CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3COC2=O)C5=CC6=CC=CC=C6N=C5
    InChIKey: DPLMXAYKJZOTKO-UHFFFAOYSA-N
    InChI:  InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,show more
    Synonyms: Benzeneacetonitrile, α,α-dimethyl-4-[2-oxo-9-(3-quinolinyl)-2H-[1,3]oxazino[5,4-c]quinolin-1(4H)-yl]-
  2. Elimusertib hydrochloride
    Cas Number: 1876467-74-1(free base)
    Formula:  C20H22ClN7O       
    Synonyms: BAY 1895344 hydrochloride | BAY-1895344 HCl | 2-​[(3R)​-​3-​methyl-​4-​morpholinyl]​-​4-​(1-​methyl-​1H-​pyrazol-​5-​...
  3. Elimusertib (BAY-1895344), Serine-protein kinase ATR inhibitor
    Cas Number: 1876467-74-1
    Formula:  C20H21N7O        Molecular Weight: 375.43
    IUPAC Name:  (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
    SMILES:  CC1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
    InChIKey: YBXRSCXGRPSTMW-CYBMUJFWSA-N
    InChI:  InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t1show more
    Synonyms: GTPL10354 | HY-101566 | BAY-1895344 HCl | 1,7-NAPHTHYRIDINE, 2-((3R)-3-METHYL-4-MORPHOLINYL)-4-(1-METHYL-1H-PYRAZOL-5...
  4. Mirin
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 1198097-97-0
    Formula:  C10H8N2O2S        Molecular Weight: 220.25
    IUPAC Name:  (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
    SMILES:  C1=CC(=CC=C1C=C2C(=O)NC(=N)S2)O
    InChIKey: YBHQCJILTOVLHD-YVMONPNESA-N
    InChI:  InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-
    Synonyms: 1198097-97-0|(Z)-2-amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one|CHEMBL570841|Mrn-atm pathway inhibitor,mirin|SCHEM...
  5. NU6027
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 220036-08-8
    Formula:  C11H17N5O2        Molecular Weight: 251.28
    IUPAC Name:  6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine
    SMILES:  C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N
    InChIKey: DGWXOLHKVGDQLN-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
    Synonyms: NU6027|220036-08-8|6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine|NU 6027|NU-6027|2,6-diamino-4-cyclohexylmeth...
  6. VX-803 (M4344), Serine-protein kinase ATR inhibitor
    Cas Number: 1613191-99-3        Compound CID:  86720912
    Formula:  C25H29F2N9O3        Molecular Weight: 541.55
    IUPAC Name:  2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    SMILES:  C1CN(CCC1C(=O)N2CCN(CC2)C3COC3)C4=C(C=NC=C4NC(=O)C5=C6N=CC(=CN6N=C5N)F)F
    InChIKey: QAYHKBLKSXWOEO-UHFFFAOYSA-N
    InChI:  InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/hshow more
    Synonyms: 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]py...
  7. VX-803 (M4344), Serine-protein kinase ATR inhibitor
    Cas Number: 1613191-99-3        Compound CID:  86720912
    Formula:  C25H29F2N9O3        Molecular Weight: 541.55
    IUPAC Name:  2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    SMILES:  C1CN(CCC1C(=O)N2CCN(CC2)C3COC3)C4=C(C=NC=C4NC(=O)C5=C6N=CC(=CN6N=C5N)F)F
    InChIKey: QAYHKBLKSXWOEO-UHFFFAOYSA-N
    InChI:  InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/hshow more
    Synonyms: gartisertib|1613191-99-3|VX-803|2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-y...
  8. AZ32
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 2288709-96-4
    Formula:  C20H16N4O        Molecular Weight: 328.37
    IUPAC Name:  N-methyl-4-(6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
    SMILES:  CNC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(N=C3)C4=CC=CC=C4
    InChIKey: LCRTUEXVVKVKBD-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H16N4O/c1-21-20(25)16-9-7-15(8-10-16)18-11-23-19-12-22-17(13-24(18)19)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,25)
    Synonyms: N-methyl-4-(6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
  9. Camonsertib, Inhibitor of ATR serine/threonine kinase
    Cas Number: 2417489-10-0
    Formula:  C21H26N6O3        Molecular Weight: 410.47
    SMILES:  C[C@@H]1COCCN1C2=NC3=C(C=NN3C4=CC=NN4)C(=C2)C5(C[C@H]6CC[C@@H](C5)O6)O
    Synonyms: Camonsertib | NSC841442 | NSC-841442 | ATR inhibitor 4;Camonsertib | 8-Oxabicyclo[3.2.1]octan-3-ol, 3-[6-[(3R)-3-meth...
  10. lartesertib, Inhibitor of ATM serine/threonine kinase;Inhibitor of protein kinase; DNA-activated; catalytic subunit
    Cas Number: 2020089-41-0        Compound CID:  122599280
    IUPAC Name:  8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxypyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
    SMILES:  Cc1nn(cc1c1c(cc2c(c1)c1c(cn2)n(c(=O)n1c1c(cncc1OC)F)C)OC)C
    InChIKey: WNEFOSMCGCLLJU-UHFFFAOYSA-N
    InChI:  InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
    Synonyms: Lartesertib | 2495096-26-7 | M 4076 [WHO-DD] | EX-A6934 | BDBM418555 | MS-28119 | 8-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-...
  11. tuvusertib, Inhibitor of ATR serine/threonine kinase
    Cas Number: 1613200-51-3        Compound CID:  90199447
    IUPAC Name:  2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    SMILES:  CN1C=NC=C1C2=C(C=NC=C2NC(=O)C3=C4N=CC(=CN4N=C3N)F)F
    InChIKey: RBQPCTBFIPVIJN-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)
    Synonyms: compound I-C-79 [WO2014089379A1]
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