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CAS 2140301-97-7

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Propanedioic acid, compd. with 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one (1:1)

Description:
Propanedioic acid, in combination with the specified compound, is a chemical substance characterized by its unique structural features and potential biological activity. The compound includes a propanedioic acid moiety, which is a dicarboxylic acid known for its acidity and ability to form various derivatives. The other component, a substituted piperidine derivative with a pyrrolo[2,3-d]pyrimidine structure, suggests potential pharmacological properties, possibly related to its interaction with biological targets such as enzymes or receptors. The presence of multiple functional groups, including amines and carbonyls, indicates that this compound may participate in hydrogen bonding and other intermolecular interactions, influencing its solubility and reactivity. The specific stereochemistry, denoted by the (2S,5R) configuration, may also play a crucial role in the compound's biological activity and selectivity. Overall, this compound represents a complex structure that may have applications in medicinal chemistry or as a research tool in understanding biological processes.
Formula:C15H19N5O·C3H4O4
InChI:InChI=1S/C15H19N5O.C3H4O4/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15;4-2(5)1-3(6)7/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19);1H2,(H,4,5)(H,6,7)/t10-,11+;/m0./s1
InChI key:InChIKey=QMPMPSGDPRHZCG-VZXYPILPSA-N
SMILES:N(C1=C2C(=NC=N1)NC=C2)[C@H]3CN(C(C=C)=O)[C@@H](C)CC3.C(C(O)=O)C(O)=O
Synonyms:
  • Propanedioic acid, compd. with 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one (1:1)
  • 1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one malonate
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