519148-74-4 Usage
Molecular structure
1H-Indole-1-carboxylic acid, 2-borono-5-[(4-methyl-1-piperazinyl)sulfonyl]-, 1-(1,1-dimethylethyl) ester is an organic compound consisting of an indole ring, a boron atom, a sulfonyl group, and a piperazine ring.
Ester functional group
The compound is an ester, formed by the reaction of 1H-indole-1-carboxylic acid with 1-(1,1-dimethylethyl) alcohol, resulting in the formation of an ester bond between the two molecules.
Boron-containing compound
The presence of the 2-borono group in the molecule indicates that it is a boronic acid derivative, which may have potential applications in medicinal chemistry and drug development.
Sulfonyl group
The compound contains a sulfonyl group (-SO2-) attached to a 4-methyl-1-piperazinyl ring, which can influence the compound's reactivity, solubility, and bioavailability.
Piperazine ring
The 4-methyl-1-piperazinyl ring is a heterocyclic compound with potential pharmaceutical applications, as it can interact with various biological targets and receptors.
Solubility and bioavailability
The 1-(1,1-dimethylethyl) ester group in the compound may improve its solubility and bioavailability, making it a more effective pharmaceutical agent.
Potential pharmaceutical applications
Due to its unique structure and the presence of various functional groups, the compound has potential applications in the treatment of certain medical conditions, particularly in the development of new drugs for various diseases.
Check Digit Verification of cas no
The CAS Registry Mumber 519148-74-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,1,9,1,4 and 8 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 519148-74:
(8*5)+(7*1)+(6*9)+(5*1)+(4*4)+(3*8)+(2*7)+(1*4)=164
164 % 10 = 4
So 519148-74-4 is a valid CAS Registry Number.
InChI:InChI=1/C18H26BN3O6S/c1-18(2,3)28-17(23)22-15-6-5-14(11-13(15)12-16(22)19(24)25)29(26,27)21-9-7-20(4)8-10-21/h5-6,11-12,24-25H,7-10H2,1-4H3
519148-74-4Relevant articles and documents
Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: Effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding
Fraley, Mark E.,Arrington, Kenneth L.,Buser, Carolyn A.,Ciecko, Patrice A.,Coll, Kathleen E.,Fernandes, Christine,Hartman, George D.,Hoffman, William F.,Lynch, Joseph J.,McFall, Rosemary C.,Rickert, Keith,Singh, Romi,Smith, Sheri,Thomas, Kenneth A.,Wong, Bradley K.
, p. 351 - 355 (2007/10/03)
Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker binding affinity for the IKr potassium channel hERG. 2003 Elsevier Science Ltd. All rights reserved.
