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)

CAS Registry Number®

451493-31-5

CAS Name

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)

Molecular Formula

C27H28ClFN6O.2C7H8O3S

Cite this Page

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).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=451493-31-5 (retrieved 2024-11-22) (CAS RN: 451493-31-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=YTEQVKXIDXBUOT-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C(C#CC(C)(C)N3CCN(C)CC3)C(NC(C=C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical 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

Other Names for this Substance

  • 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)
  • 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
  • AV 412
  • AV 412 tosylate

View All

Deleted or Replaced CAS Registry Numbers

1022984-77-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration