1262849-80-8 Usage
Molecular structure
The compound has a complex molecular structure with a pyrrolidine ring, a quinazoline ring, and various functional groups including an amino group, hydroxy group, and ester group.
Chirality
The compound is a chiral molecule, as indicated by the (3R,4S) stereochemistry notation, which means it has different spatial arrangements of atoms, leading to different biological activities.
Functional groups
The compound contains an amino group, hydroxy group, and ester group.
Potential pharmaceutical applications
Due to its structural similarity to various biologically active compounds, the compound has potential pharmaceutical applications and could be studied for its pharmacological properties.
Stereochemistry
The compound has a specific stereochemistry, (3R,4S)-rel-, which indicates the spatial arrangement of the atoms in the molecule.
Ester group
The compound has an ester group, which is formed by the reaction of a carboxylic acid and an alcohol.
Hydroxy group
The compound contains a hydroxy group, which is a functional group consisting of an oxygen and hydrogen atom bonded to a carbon atom.
Amino group
The compound has an amino group, which is a functional group consisting of a nitrogen atom bonded to two hydrogen atoms and one carbon atom.
Fluorine atom
The compound contains a fluorine atom, which is a halogen that can influence the properties of the molecule.
Methoxy groups
The compound has two methoxy groups, which are functional groups consisting of an oxygen atom bonded to a methyl group.
Check Digit Verification of cas no
The CAS Registry Mumber 1262849-80-8 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,6,2,8,4 and 9 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1262849-80:
(9*1)+(8*2)+(7*6)+(6*2)+(5*8)+(4*4)+(3*9)+(2*8)+(1*0)=178
178 % 10 = 8
So 1262849-80-8 is a valid CAS Registry Number.
1262849-80-8Relevant articles and documents
Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2
Caldwell, John J.,Welsh, Emma J.,Matijssen, Cornelis,Anderson, Victoria E.,Antoni, Laurent,Boxall, Kathy,Urban, Frederique,Hayes, Angela,Raynaud, Florence I.,Rigoreau, Laurent J. M.,Raynham, Tony,Aherne, G. Wynne,Pearl, Laurence H.,Oliver, Antony W.,Garrett, Michelle D.,Collins, Ian
, p. 580 - 590 (2011/03/21)
Structure-based design was applied to the optimization of a series of 2-(quinazolin-2-yl)phenols to generate potent and selective ATP-competitive inhibitors of the DNA damage response signaling enzyme checkpoint kinase 2 (CHK2). Structure-activity relationships for multiple substituent positions were optimized separately and in combination leading to the 2-(quinazolin-2-yl) phenol 46 (IC50 3 nM) with good selectivity for CHK2 against CHK1 and a wider panel of kinases and with promising in vitro ADMET properties. Off-target activity at hERG ion channels shown by the core scaffold was successfully reduced by the addition of peripheral polar substitution. In addition to showing mechanistic inhibition of CHK2 in HT29 human colon cancer cells, a concentration dependent radioprotective effect in mouse thymocytes was demonstrated for the potent inhibitor 46 (CCT241533).
