Duvelisib (IPI-145)

CAT: 1568-C12390-1gSize: 1 gDry Ice: YesHazardous: No

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CAT#:1568-C12390-1gSize:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1201438-56-3

Synonyms

INK1197

Target

PI3K

Applications

PI3K/Akt/mTOR

Smiles

CC (C1=CC2=C (C (=CC=C2) Cl) C (=O) N1C3=CC=CC=C3) NC4=NC=NC5=C4NC=N5

Molecular Formula

C22H17ClN6O

Additionnal Information

Duvelisib (IPI-145, INK1197) is a novel and selective PI3K δ/γ inhibitor with Ki and IC50 of 23 pM/243 pM and 1 nM/50 nM in cell-free assays, highly selective for PI3K δ/γ than other protein kinases. Phase 3.

Storage Conditions

2 years -80 in solvent

Chemical Information

Duvelisib

8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone is a member of isoquinolines.

CAS Number	1201438-56-3
PubChem CID	50905713
IUPAC Name	8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one
Molecular Formula	C22H17ClN6O
Molecular Weight	416.9
XLogP	4.1
Topological Polar Surface Area	86.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	668

SMILES

C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1

InChIKey

SJVQHLPISAIATJ-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 1201438-56-3

CID: 50905713

Formula: C22H17ClN6O

MW: 416.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.9
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	416.1152369
Monoisotopic Mass	416.1152369
Topological Polar Surface Area	86.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C02147-5mg	IPI-9119
C17928	IPI-3063
C02147-25mg	IPI-9119
C12616-5mg	IPI-3063
C12616-2mg	IPI-3063
C17928-25mg	IPI-3063
C13350-01	Eganelisib (IPI-549)

Alternative Products

Catalog	Name
S7028-10mM/1mL	Duvelisib (IPI-145)
A1720-100	Duvelisib (IPI-145, INK1197)
MBS384926-01	IPI-145 (Duvelisib, INK1197)
A12422-100	IPI-145 (Duvelisib, INK1197) 100mg
A12422-2	IPI-145 (Duvelisib, INK1197) 2mg
sc-488318	IPI 145
2445-5	IPI-145
A12422-25	IPI-145 25mg
A12422-10	IPI-145 10mg

Duvelisib (IPI-145)

Chemical Information

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