DB1113

For research use only. Not for therapeutic Use.

  • CAT Number: I042903
  • CAS Number: 2769753-53-7
  • Molecular Formula: C59H68F3N13O6S
  • Molecular Weight: 1144.31
  • Purity: ≥95%
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DB1113(Cat No.:I042903)is a promising compound in the field of cancer research, known for its ability to inhibit certain protein kinases involved in cell proliferation and survival. It works by interfering with key signaling pathways that regulate the growth and division of cancer cells, potentially preventing tumor progression. This compound shows promise for treating cancers that are resistant to traditional therapies. As with many experimental drugs, further research is required to fully understand its efficacy, safety, and potential for clinical application in cancer treatment.


CAS Number 2769753-53-7
Synonyms

(2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]pyridin-2-yl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Molecular Formula C59H68F3N13O6S
Purity ≥95%
IUPAC Name (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]pyridin-2-yl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI InChI=1S/C59H68F3N13O6S/c1-35-14-19-43(67-53(78)40-11-10-12-42(27-40)59(60,61)62)28-46(35)75-32-41-30-64-56(70-52(41)71(7)57(75)81)68-44-20-21-48(63-31-44)73-25-23-72(24-26-73)22-9-8-13-49(77)69-51(58(4,5)6)55(80)74-33-45(76)29-47(74)54(79)66-36(2)38-15-17-39(18-16-38)50-37(3)65-34-82-50/h10-12,14-21,27-28,30-31,34,36,45,47,51,76H,8-9,13,22-26,29,32-33H2,1-7H3,(H,66,79)(H,67,78)(H,69,77)(H,64,68,70)/t36-,45+,47-,51+/m0/s1
InChIKey BTJSSCWASCIGSE-OWEXABFXSA-N
SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)N6CCN(CC6)CCCCC(=O)N[C@H](C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)O)C(C)(C)C
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