AG00D9RL

545380-34-5 | 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline

AG00D9RL

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CAS Number	545380-34-5
Catalog Number	AG00D9RL(AGN-PC-0JS41Q)
Chemical Name	6-Amino-4-(4-phenoxyphenylethylamino)quinazoline
IUPAC Name	4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
InChI	InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)
InChI Key	IBAKVEUZKHOWNG-UHFFFAOYSA-N
MDL Number	MFCD06411436
Molecular Formula	C22H20N4O
Molecular Weight	356.4204
SMILES	NC1=CC2=C(NCCC3=CC=C(OC4=CC=CC=C4)C=C3)N=CN=C2C=C1
Synonyms	EVP 4593, EVP-4593, EVP4593, N(4)-(2-(4-phenoxyphenyl)ethyl)-4,6-quinazolinediamine, QNZ quinazolinediamine, 545380-34-5, QNZ, QNZ (EVP4593), 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline, EVP4593, N4-(4-phenoxyphenethyl)quinazoline-4,6-diamine, 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine, NF-kappaB Activation Inhibitor, InSolution™ NF-kappaB Activation Inhibitor, N4-[2-(4-Phenoxyphenyl)ethyl]-4,6-quinazolinediamine, C22H20N4O, EVP 4593, EVP-4593, AG-F-89549, qnz-evp4593, Curator_000005, NF-kB activation inhibitor, AC1LA9A8, SCHEMBL157421, CHEMBL522502, GTPL6012, QNZ(EVP4593), CTK5A1521, DTXSID00333507, EX-A182, QNZ solution, 20 mM in DMSO, HMS3229K22, HMS3402B14, HMS3649N20, HMS3652J12, BCP07901, CAY10470, KS-00001D7G, ZINC1489490, 2022AH, 2676AH, IN1202, MFCD06411436, s4902, AKOS022175523, CCG-206870, CS-1515, LS41108, EVP-4593 solution, 20 mM in DMSO, 4CA-1067, AJ-26334, AK-35592, DA-42127, HY-13812, SC-96574, AB0165862, EVP4593, >=98% (HPLC), RT-015179, FT-0661997, SW220245-1, 545380-34-5 solution, 20 mM in DMSO, W-5334, 6-amino-4-(4-phenoxyphenylethylamino) quinazoline, SR-01000946744, CU-00000000003-1, SR-01000946744-1, 6-Amino-4-[2-(4-phenoxyphenyl)ethylamino]quinazoline, N4-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine, N~4~-[2-(4-Phenoxyphenyl)ethyl]quinazoline-4,6-diamine, 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline solution, 20 mM in DMSO, QNZ quinazolinediamine, D03BXA, AIDS181298, CID509554, A4217, A12748, C562064, 4,6-Quinazolinediamine, N4-[2-(4-phenoxyphenyl)ethyl]-, N(4)-(2-(4-phenoxyphenyl)ethyl)-4,6-quinazolinediamine,

Complexity	434
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	356.164g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	356.429g/mol
Monoisotopic Mass	356.164g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	73.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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

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