CAS 451493-31-5: 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)

Description: 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2), with CAS number 451493-31-5, is a complex organic compound characterized by its unique structural features, including a quinazoline core and various functional groups. This compound exhibits properties typical of amides and sulfonates, such as potential solubility in polar solvents and the ability to form hydrogen bonds due to the presence of amine and sulfonate groups. The presence of halogen substituents, specifically chlorine and fluorine, may influence its reactivity and biological activity. Additionally, the piperazine moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The compound's molecular structure indicates it may have applications in pharmaceuticals, particularly in the development of targeted therapies. However, specific physical properties such as melting point, boiling point, and solubility would require empirical measurement or detailed literature references for precise characterization.

Formula: C₂₇H₂₈ClFN₆O·2C₇H₈O₃S

InChI: InChI=1S/C27H28ClFN6O.C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2-5H,1H3,(H,8,9,10)

InChI key: InChIKey=YTEQVKXIDXBUOT-UHFFFAOYSA-N

SMILES: O=C(C=C)NC1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1C#CC(N4CCN(C)CC4)(C)C.O=S(=O)(O)C1=CC=C(C=C1)C

Synonyms:

• AV 412
• 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butynyl]-6-quinazolinyl]-, bis(4-methylbenzenesulfonate)
• MP 412
• 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)
• AV 412 tosylate

AV-412

CAS: 451493-31-5

AV-412 (MP412) is an EGFR inhibitor (EGFR, EGFR T790M, EGFR L858R, EGFR L858R/T790M and ErbB2 …

• Formula: C₄₁H₄₄ClFN₆O₇S₂
• Purity: 99.85%
• Color and Shape: Solid
• Molecular weight: 851.41

2-PropenaMide, N-[4-[(3-chloro-4-fluorophenyl)aMino]-7-[3-Methyl-3-(4-Methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-Methylbenzenesulfonate (1

CAS: 451493-31-5

• Formula: C₄₁H₄₄ClFN₆O₇S₂
• Purity: 95%
• Molecular weight: 851.4055

AV-412

CAS: 451493-31-5

• Purity: ≥98%
• Molecular weight: 851.41g/mol

2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methyl benzenesulfonate (1:2)

CAS: 451493-31-5

N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]2,2′:6′,2″:6″,6′″-(tertiary butoxycarbonylamino)biphenyl (DG3178) is a novel small molecule that has shown the potential to inhibit …

• Formula: C₂₇H₂₈ClFN₆O·2C₇H₈O₃S
• Purity: Min. 95%
• Molecular weight: 851.42 g/mol