U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClN5O5P
Molecular Weight 465.827
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIIB-028

SMILES

COC1=C(C)C=NC(CN2C=C(C#CCCOP(O)(O)=O)C3=C(Cl)N=C(N)N=C23)=C1C

InChI

InChIKey=BMZGPNGECPQAGB-UHFFFAOYSA-N
InChI=1S/C19H21ClN5O5P/c1-11-8-22-14(12(2)16(11)29-3)10-25-9-13(6-4-5-7-30-31(26,27)28)15-17(20)23-19(21)24-18(15)25/h8-9H,5,7,10H2,1-3H3,(H2,21,23,24)(H2,26,27,28)

HIDE SMILES / InChI

Approval Year

Name Type Language
BIIB-028
Common Name English
4-(2-AMINO-4-CHLORO-7-((4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYL)PYRROLO(2,3-D)PYRIMIDIN-5-YL)BUT-3-YNYL DIHYDROGEN PHOSPHATE
Systematic Name English
BIIB028
Code English
3-BUTYN-1-OL, 4-(2-AMINO-4-CHLORO-7-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)-7H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)-, 1-(DIHYDROGEN PHOSPHATE)
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C78846
Created by admin on Sat Dec 16 11:37:18 GMT 2023 , Edited by admin on Sat Dec 16 11:37:18 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
BIIB-028
Created by admin on Sat Dec 16 11:37:18 GMT 2023 , Edited by admin on Sat Dec 16 11:37:18 GMT 2023
PRIMARY Description: BIIB028 is a small-molecule inhibitor of heat shock protein (Hsp) 90 with potential antineoplastic activity. Hsp90 inhibitor BIIB028 blocks the binding of oncogenic client proteins to Hsp90, which may result in the proteasomal degradation of these proteins and so the inhibition of tumor cell proliferation. Hsp90 is a molecular chaperone that plays a key role in the conformational maturation of oncogenic signaling proteins, such as Her2/Erbb2, Akt, Raf1, Bcr-Abl, and mutated p53, in addition to other molecules involved in cell cycle regulation and immune responses.
FDA UNII
KD4GWWK597
Created by admin on Sat Dec 16 11:37:18 GMT 2023 , Edited by admin on Sat Dec 16 11:37:18 GMT 2023
PRIMARY
CAS
1315607-68-1
Created by admin on Sat Dec 16 11:37:18 GMT 2023 , Edited by admin on Sat Dec 16 11:37:18 GMT 2023
NO STRUCTURE GIVEN
CAS
911398-13-5
Created by admin on Sat Dec 16 11:37:18 GMT 2023 , Edited by admin on Sat Dec 16 11:37:18 GMT 2023
PRIMARY
PUBCHEM
57713852
Created by admin on Sat Dec 16 11:37:18 GMT 2023 , Edited by admin on Sat Dec 16 11:37:18 GMT 2023
PRIMARY