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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H24F3N5O3
Molecular Weight 571.5492
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UMBRALISIB

SMILES

CC(C)OC1=CC=C(C=C1F)C2=NN([C@@H](C)C3=C(C4=CC(F)=CC=C4)C(=O)C5=C(O3)C=CC(F)=C5)C6=C2C(N)=NC=N6

InChI

InChIKey=IUVCFHHAEHNCFT-INIZCTEOSA-N
InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1

HIDE SMILES / InChI
Molecular Formula C31H24F3N5O3
Molecular Weight 571.5492
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:28:43 UTC 2023
Edited
by admin
on Sat Dec 16 09:28:43 UTC 2023
Record UNII
38073MQB2A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UMBRALISIB
USAN   INN  
Official Name English
RP-5264
Code English
4H-1-BENZOPYRAN-4-ONE, 2-((1S)-1-(4-AMINO-3-(3-FLUORO-4-(1-METHYLETHOXY)PHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)ETHYL)-6-FLUORO-3-(3-FLUOROPHENYL)-
Systematic Name English
Umbralisib [WHO-DD]
Common Name English
2-((1S)-1-(4-AMINO-3-(3-FLUORO-4-(1-METHYLETHOXY)PHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)ETHYL)-6-FLUORO-3-(3-FLUOROPHENYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
TGR-1202
Code English
UMBRALISIB [USAN]
Common Name English
umbralisib [INN]
Common Name English
RP5264
Code English
TGR-1202 FREE BASE
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 687519
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
FDA ORPHAN DRUG 680019
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
FDA ORPHAN DRUG 533016
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
FDA ORPHAN DRUG 687419
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
FDA ORPHAN DRUG 554216
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
NCI_THESAURUS C2152
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
FDA ORPHAN DRUG 726819
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
FDA ORPHAN DRUG 552216
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
Code System Code Type Description
DRUG BANK
DB14989
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
USAN
CD-144
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID601337137
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
NCI_THESAURUS
C104413
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
WIKIPEDIA
Umbralisib
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
CAS
1532533-67-7
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
SMS_ID
100000175025
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
PUBCHEM
72950888
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
DAILYMED
38073MQB2A
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
TGR-1202 FREE BASE
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY MedKoo CAT NO: 205938, CAS NO.: 1532533-67-7(free base), 1532533-75-7(sulfate)Description: TGR-1202, also known as RP5264 , is a highly specific, orally available, PI3K delta inhibitor, targeting the delta isoform with nanomolar potency and several fold selectivity over the alpha, beta, and gamma isoforms of PI3K. Inhibition of PI3K delta signaling with TGR-1202 has demonstrated robust activity in numerous pre-clinical models and primary cells from patients with hematologic malignancies.(Last Updated: 9/24/2015)
FDA UNII
38073MQB2A
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
INN
10350
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
RXCUI
2478439
Created by admin on Sat Dec 16 09:28:44 UTC 2023 , Edited by admin on Sat Dec 16 09:28:44 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
The plasma protein binding is ≥99.7% and was independent of concentration between 2 and 5 μM.
CYTOCHROME P450 2C19
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 2C8
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
Structure of UMBRALISIB
EXCRETED UNCHANGED
following a single radiolabeled dose of umbralisib 800 mg to healthy subjects
FECAL
Structure of UMBRALISIB TOSYLATE
SALT/SOLVATE -> PARENT
Structure of UMBRALISIB
EXCRETED UNCHANGED
following a single radiolabeled dose of umbralisib 800 mg to healthy subjects
URINE
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
TARGET -> INHIBITOR
IC50
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> INHIBITOR
Related Record Type Details
Structure of UMBRALISIB
ACTIVE MOIETY
Drugs: Carfilzomib(Primary), TGR 1202(Primary) Indication: Cancer Focus: Adverse reactions, Therapeutic Use Most Recent Event: 10 Dec 2015 New trial record
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
Structure of UMBRALISIB
Volume of Distribution PHARMACOKINETIC
Structure of UMBRALISIB
Biological Half-life PHARMACOKINETIC
Structure of UMBRALISIB
blood-to-plasma ratio PHARMACOKINETIC
Structure of UMBRALISIB
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