AG000QE2

1201438-56-3 | 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-

AG000QE2

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

• mg
• g
• kg
• ml
• L

无数据

• mg
• g
• kg
• ml
• L

无数据

无数据

Inquire

CAS Number	1201438-56-3
Catalog Number	AG000QE2(AGN-PC-0WADI8)
Chemical Name	1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-
IUPAC Name	8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one
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
InChI Key	SJVQHLPISAIATJ-ZDUSSCGKSA-N
MDL Number	MFCD15144635
Molecular Formula	C22H17ClN6O
Molecular Weight	416.8630
SMILES	O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4N=CNC4=NC=N3)C)=CC5=C1C(Cl)=CC=C5
UNII	610V23S0JI
Synonyms	8-chloro-2-phenyl-3-((1S)-1-(9H-purin-6-ylamino)ethyl)-1(2H)-isoquinolinone, duvelisib, IPI-145, Duvelisib, 1201438-56-3, IPI-145, (S)-3-(1-((9H-Purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one, INK-1197, UNII-610V23S0JI, IPI 145, INK1197, IPI145, 610V23S0JI, INK-1147, Copiktra, (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one, Duvelisib (IPI-145, INK1197), IPI-145 (INK1197), Duvelisib [USAN:INN], 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-((1S)-1-(9H-purin-6-ylamino)ethyl)-, 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-, AK145604, Duvelisib (USAN/INN), ipi-145-ink1197, IPI-145 pound>>Duvelisib, SCHEMBL153543, GTPL7795, CHEMBL3039502, SCHEMBL18343557, SCHEMBL19670020, SCHEMBL20580104, DTXSID80152697, SYN1175, CHEBI:131169, SJVQHLPISAIATJ-ZDUSSCGKSA-N, AOB87713, BCP07042, EX-A1562, BDBM50193013, MFCD15144635, s7028, ZINC88346058, AKOS022186370, Duvelisib (IPI-145 INK1197), IPI-145, INK 1197, Duvelisib, CS-0888, DB11952, SB16470, KS-0000062P, NCGC00351482-01, AC-30239, AS-16309, BC600328, compound 4904 [Patent US8193182], HY-17044, QC-10232, AB0032504, AJ-128213, AX8268013, ST24036081, SW219822-1, X5816, A12422, D10555, W-5592, (S)-3-(1-(7H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one, 8-Chloro-2-phenyl-3-((1S)-1-(7H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one, INK-1197|||IPI-145|||8-Chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one, Duvelisib [USAN], C22H17ClN6O, D0RU0O,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	416.115g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	416.869g/mol
Monoisotopic Mass	416.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	86.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number