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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClN5O5P
Molecular Weight 465.828
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIIB-028

SMILES

Cc1cnc(Cn2cc(C#CCCOP(=O)(O)O)c3c(Cl)[nH]c(=N)nc32)c(C)c1OC

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

Molecular Formula C19H21ClN5O5P
Molecular Weight 465.828
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:34:41 UTC 2021
Edited
by admin
on Sat Jun 26 15:34:41 UTC 2021
Record UNII
KD4GWWK597
Record Status Validated (UNII)
Record Version
  • Download
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
MANUFACTURER PRODUCT INFORMATION
BIIB-028
Created by admin on Sat Jun 26 15:34:41 UTC 2021 , Edited by admin on Sat Jun 26 15:34:41 UTC 2021
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 Jun 26 15:34:41 UTC 2021 , Edited by admin on Sat Jun 26 15:34:41 UTC 2021
PRIMARY
CAS
1315607-68-1
Created by admin on Sat Jun 26 15:34:41 UTC 2021 , Edited by admin on Sat Jun 26 15:34:41 UTC 2021
NO STRUCTURE GIVEN
CAS
911398-13-5
Created by admin on Sat Jun 26 15:34:41 UTC 2021 , Edited by admin on Sat Jun 26 15:34:41 UTC 2021
PRIMARY
PUBCHEM
57713852
Created by admin on Sat Jun 26 15:34:41 UTC 2021 , Edited by admin on Sat Jun 26 15:34:41 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY
Originator: Memorial Sloan-Kettering Cancer Center; Developer: Biogen; Class: Antineoplastic, Small molecule; Mechanism of Action: HSP90 heat-shock protein inhibitor; Highest Development Phase: Phase I for Solid tumours; Most Recent Events: 17 Mar 2011 Biogen Idec completes enrolment in its phase I trial for Solid tumours in USA (NCT00725933), 03 May 2006 Conforma Therapeutics has been acquired and merged into Biogen Idec, 29 Oct 2001 Preclinical trials in Solid tumours (IV)